data_2e6p_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 2e6p _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 ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.17 0 CA-C-O 120.812 0.255 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 p -154.87 128.28 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -126.88 139.45 53.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.6 mt -69.98 144.22 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 mt -106.65 -34.17 7.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.532 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 1.8 m -156.2 140.62 11.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.69 0.757 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.4 Cg_endo -69.8 176.04 34.29 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.352 -0.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -92.88 -33.84 14.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.89 178.58 7.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.413 ' HE3' ' CD ' ' A' ' 79' ' ' GLU . 14.7 tptm -53.73 131.51 39.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 17.9 m -111.99 168.89 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 t -139.41 130.81 26.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mt -137.59 150.58 47.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.9 m -137.99 131.71 31.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -132.12 171.41 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.467 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 55.7 m -110.73 142.79 42.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 84.4 m -47.29 147.69 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 p 65.45 40.22 4.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 23' ' ' THR . 44.6 mm-40 -133.52 174.13 10.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -99.44 127.91 45.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.409 HG22 ' CB ' ' A' ' 72' ' ' ALA . 93.3 t -122.29 114.2 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.45 117.44 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.2 mt -85.42 -174.91 5.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.2 m -153.32 140.28 19.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.5 t -157.48 138.83 13.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -116.56 154.97 29.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.9 mt -132.12 176.42 8.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.2 p -109.54 16.75 22.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 27.0 mtp85 -143.54 126.12 15.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.467 HG11 ' N ' ' A' ' 38' ' ' ASP . 88.3 t -82.12 144.31 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.467 ' N ' HG11 ' A' ' 37' ' ' VAL . 54.6 m-20 57.66 45.44 19.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.524 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.4 t80 -106.27 140.55 21.39 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.79 162.17 43.1 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.74 155.76 2.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.8 m -131.72 125.06 31.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.456 ' CG ' HD23 ' A' ' 67' ' ' LEU . 83.2 m95 -79.19 140.76 37.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -131.82 134.79 46.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -117.02 128.41 55.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 t70 49.86 31.97 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.38 28.82 59.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -145.39 129.59 17.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.917 0.389 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.427 ' C ' ' HD2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -42.59 149.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.6 m -92.36 138.92 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -88.69 89.73 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -54.12 130.05 36.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -171.26 -175.06 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -56.13 -29.54 60.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -85.76 -7.03 59.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.0 tp -134.56 108.98 8.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.454 ' CG1' ' HD3' ' A' ' 59' ' ' LYS . 6.3 t -104.18 125.64 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.7 t -113.84 108.66 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.454 ' HD3' ' CG1' ' A' ' 57' ' ' VAL . 4.9 mmmm -99.09 135.2 40.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.8 ttt -122.06 142.3 50.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -150.43 154.88 38.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -40.8 105.27 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.426 ' HG3' ' CG2' ' A' ' 37' ' ' VAL . 97.4 mtt180 56.02 41.81 29.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -158.6 117.45 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -130.02 134.91 47.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -145.17 151.64 38.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.487 HD12 ' N ' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -110.9 119.4 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.487 ' N ' HD12 ' A' ' 67' ' ' LEU . 9.3 mt -103.71 149.49 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.0 mt -140.73 119.33 8.27 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.599 0.714 . . . . 0.0 110.933 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -36.56 10.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.728 2.285 . . . . 0.0 112.344 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -133.92 97.05 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.409 ' CB ' HG22 ' A' ' 28' ' ' VAL . . . -74.01 91.92 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -83.26 155.72 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.4 t -47.29 -24.54 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -77.36 -37.31 52.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -58.16 -16.39 13.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.2 p -67.04 126.32 28.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 165.05 -168.34 39.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.473 ' OE2' ' N ' ' A' ' 91' ' ' PHE . 45.7 tp10 -99.51 130.63 45.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.371 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -106.31 150.77 25.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.461 ' CG ' ' HB3' ' A' ' 88' ' ' SER . 8.1 tt0 -150.56 129.85 12.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 40.6 t -93.66 73.36 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -50.12 138.99 15.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 12.8 t -154.9 171.06 20.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.31 70.66 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 164.82 -67.12 0.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.2 m -144.43 177.64 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.461 ' HB3' ' CG ' ' A' ' 81' ' ' GLU . 0.7 OUTLIER -137.2 152.94 50.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.8 163.66 12.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.079 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -130.31 120.23 24.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.473 ' N ' ' OE2' ' A' ' 79' ' ' GLU . 86.8 m-85 -125.61 113.83 17.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.13 123.94 6.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -125.68 140.51 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 111.11 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.2 m -141.22 114.24 8.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.0 t -97.3 100.67 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -97.66 123.67 41.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -72.59 137.34 80.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.467 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.318 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.123 0 CA-C-O 120.827 0.261 . . . . 0.0 112.387 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.401 HG13 ' CE2' ' A' ' 39' ' ' PHE . 6.9 p -160.77 120.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -112.52 135.03 53.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.2 mt -72.18 138.93 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 33' ' ' GLU . 2.1 mt -99.4 -33.2 10.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.538 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 43.4 t -157.03 142.77 12.74 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.733 . . . . 0.0 110.9 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.82 168.25 68.33 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.317 0.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -85.21 -25.36 27.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -155.8 -177.06 6.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -55.68 131.89 47.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -110.49 167.93 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.7 p -135.69 126.13 26.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mt -134.38 158.9 42.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.1 m -141.5 145.63 35.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -151.31 173.38 14.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.491 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 85.6 m -111.79 144.61 40.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.143 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 25' ' ' SER . 90.0 m -45.13 142.62 1.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.401 ' N ' HG23 ' A' ' 24' ' ' THR . 75.0 m 63.22 48.69 3.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 23' ' ' THR . 33.0 mm-40 -127.59 177.46 6.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 ttt85 -106.44 118.11 35.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.4 t -115.33 136.24 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.47 ' CG2' HG12 ' A' ' 68' ' ' ILE . 34.5 t -141.06 111.99 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.0 mt -85.67 -175.63 5.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.6 m -156.63 143.55 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.2 t -156.08 139.99 16.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.464 ' HG2' ' CD1' ' A' ' 12' ' ' LEU . 20.4 tt0 -116.22 151.02 36.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.1 mt -128.53 172.76 10.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.7 t -95.87 -10.14 29.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -121.69 138.01 54.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.3 t -84.3 141.15 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 54.75 46.34 24.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.54 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 3.2 t80 -96.73 140.57 22.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.707 0.765 . . . . 0.0 110.827 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.54 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.8 147.76 63.33 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.642 2.228 . . . . 0.0 112.328 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.52 -177.6 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.0 m -155.99 142.67 18.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -96.64 135.54 38.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.482 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 87.9 m-85 -128.7 145.67 51.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -128.81 128.22 43.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 t0 53.52 26.47 5.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.47 28.3 55.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.462 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -139.34 126.6 21.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.482 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 40.7 tttm -47.37 128.29 11.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.4 m -74.79 146.17 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.173 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -100.7 108.97 20.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -67.66 129.03 38.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.0 p -160.96 -175.6 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -58.42 -18.01 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.9 mt -97.05 -9.03 28.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 tp -129.92 109.82 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 t -106.2 126.14 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.0 t -118.99 121.6 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -105.72 134.54 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.5 ttt -126.35 107.17 10.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.07 111.01 12.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 47.82 -131.18 17.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -91.13 41.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.923 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -139.58 114.63 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -117.92 122.82 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -137.68 148.44 45.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 tt -113.6 135.17 54.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.47 HG12 ' CG2' ' A' ' 29' ' ' VAL . 15.7 mt -117.27 153.88 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.435 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 72.9 mt -140.73 118.57 8.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.531 0.681 . . . . 0.0 110.955 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -38.98 6.92 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -134.44 88.15 2.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.19 106.37 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -92.09 -176.35 4.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.6 t -75.55 -32.41 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -72.96 -20.13 61.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.36 -13.01 59.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.4 p -69.36 119.93 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.59 -179.34 43.39 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.32 132.29 34.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -106.39 147.68 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -140.72 132.29 27.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 47.6 t -105.21 78.25 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -59.24 144.01 47.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 87' ' ' VAL . 13.7 t -153.09 175.72 12.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -74.67 61.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.58 -68.33 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 84' ' ' THR . 18.3 m -139.94 -178.52 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.88 160.18 40.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.16 175.62 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.083 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -147.77 120.25 8.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.45 ' CE1' ' HG3' ' A' ' 14' ' ' PRO . 75.6 m-85 -127.76 124.99 39.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.33 126.14 8.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.5 t -127.42 133.99 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 111.173 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 54.3 m -132.83 104.9 6.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.8 t -90.97 97.01 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -91.53 123.61 35.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -65.27 141.18 98.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.568 0.699 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.455 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.15 0 C-N-CA 122.688 2.259 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.835 0.265 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.41 ' CG1' ' HB2' ' A' ' 85' ' ' GLU . 14.8 p -172.16 124.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -130.07 128.29 41.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.2 mt -48.07 147.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 mt -114.65 -34.83 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 66.1 m -153.07 127.65 4.65 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.654 0.74 . . . . 0.0 110.844 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.7 Cg_endo -69.75 -175.72 11.39 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.338 -0.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -97.42 -37.26 10.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -142.68 172.79 12.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.4 131.92 13.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.42 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 31.7 m -112.39 168.94 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -136.56 131.94 34.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mt -142.87 169.05 18.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m -143.15 144.34 32.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -139.25 173.18 11.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.482 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 59.5 m -112.98 143.9 43.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.0 m -46.88 146.13 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.4 p 62.07 48.16 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 23' ' ' THR . 7.9 mm-40 -133.21 176.28 8.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -102.55 116.7 33.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 82.7 t -110.69 115.14 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 p -130.87 120.44 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.18 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.6 mt -92.65 -174.99 3.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.5 m -155.21 135.67 13.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.7 t -142.62 144.68 32.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -119.8 150.26 40.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.426 HD12 ' CD2' ' A' ' 65' ' ' HIS . 40.3 mt -131.25 171.95 12.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.1 t -110.13 31.18 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -160.44 115.33 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.464 HG13 ' CA ' ' A' ' 62' ' ' GLY . 94.3 t -72.3 143.57 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.445 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.6 OUTLIER 62.43 42.42 8.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.527 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 9.7 t80 -103.75 139.88 20.53 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.64 0.733 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.79 151.78 68.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 2.24 . . . . 0.0 112.327 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.71 170.3 17.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.4 m -151.3 142.33 23.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -95.38 134.23 38.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -129.04 130.56 46.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -117.91 127.42 53.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.5 t0 51.02 38.25 20.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.72 36.63 91.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -148.69 122.9 9.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -45.48 144.8 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 m -95.2 149.72 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 mp0 -100.27 135.48 41.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -85.79 118.36 25.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.2 p -160.08 175.26 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -51.21 -33.32 27.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.8 mt -77.83 -21.1 51.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tt -127.05 107.54 10.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.7 t -102.0 131.97 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.1 t -126.13 119.92 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -100.85 156.13 17.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.7 ttp -143.49 115.07 8.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -132.09 105.45 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.464 ' CA ' HG13 ' A' ' 37' ' ' VAL . . . 43.39 -101.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -113.71 38.48 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -138.75 109.41 6.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.426 ' CD2' HD12 ' A' ' 34' ' ' LEU . 40.8 m-70 -113.42 138.05 50.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -150.91 147.94 27.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.405 HD22 ' C ' ' A' ' 67' ' ' LEU . 4.6 tt -111.29 122.08 46.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.5 mt -103.4 147.82 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.0 mt -134.81 119.69 13.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.728 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -36.87 10.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.7 2.267 . . . . 0.0 112.348 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -132.92 115.54 15.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.16 98.84 11.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.058 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -91.76 149.05 21.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.0 t -48.42 -32.85 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -65.76 -39.24 90.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -62.15 -8.84 6.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.8 m -66.66 99.19 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.95 -177.28 42.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -85.97 136.1 33.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.895 0.379 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -109.33 124.34 50.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -110.78 144.42 39.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.8 t -127.13 96.21 4.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -85.67 145.49 27.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.32 -75.49 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.454 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 16.1 tm-20 -116.54 -68.87 0.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.99 -20.51 2.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.6 m -116.15 176.47 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 0.0 111.1 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -157.56 153.0 26.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.69 136.56 41.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -108.51 124.27 50.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.42 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 42.9 m-85 -120.27 115.1 22.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.91 118.08 5.56 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.2 t -121.84 124.73 72.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 53.2 m -135.99 112.95 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 73.1 t -96.64 116.76 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -109.38 127.37 54.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -68.86 134.55 90.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.435 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.804 0.252 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.463 HG23 ' CG ' ' A' ' 36' ' ' ARG . 9.5 p -155.15 127.28 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.471 ' CD2' ' HB2' ' A' ' 35' ' ' SER . 2.2 p-80 -124.16 161.76 25.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.0 mt -88.71 139.77 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mt -102.71 -38.65 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.517 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 2.5 t -148.21 133.18 9.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.66 0.743 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.2 Cg_endo -69.75 -168.35 4.34 Favored 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.743 -1.774 . . . . 0.0 112.322 -0.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -111.93 -22.03 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -156.95 179.09 9.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -49.0 133.56 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.455 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 34.6 m -115.54 -175.33 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t -151.94 138.87 19.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -147.67 156.36 42.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 25.4 m -139.16 147.62 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 21' ' ' THR . 46.6 m-85 -151.21 173.1 14.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.495 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 30.1 m -111.13 140.02 46.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.45 ' HB ' ' CD ' ' A' ' 98' ' ' PRO . 96.3 m -44.69 146.98 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m 62.85 44.47 6.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 23' ' ' THR . 16.0 mm-40 -128.24 179.24 5.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -106.31 113.82 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t -109.24 133.25 55.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.472 ' CG2' HG12 ' A' ' 68' ' ' ILE . 24.1 t -140.64 112.05 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.6 mt -78.79 -175.81 4.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.0 m -157.2 145.75 19.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.9 t -162.31 155.33 20.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -130.92 153.99 48.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.8 mt -127.37 172.37 10.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.471 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 3.4 t -93.0 -17.69 23.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' CG ' HG23 ' A' ' 9' ' ' VAL . 51.5 mmt-85 -123.64 139.42 54.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.439 ' CG2' ' HA3' ' A' ' 62' ' ' GLY . 0.4 OUTLIER -85.24 175.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' VAL . 36.1 t70 35.54 38.44 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.557 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 5.2 t80 -101.99 140.37 21.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.85 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.557 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.76 161.2 46.86 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.307 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.98 156.01 3.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.9 m -132.25 134.16 44.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -89.09 133.45 34.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -123.43 145.8 48.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.005 0.431 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -130.37 127.33 39.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.934 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 46.08 32.31 1.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.56 31.78 39.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -144.43 120.05 10.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -53.71 137.53 37.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.3 m -90.11 147.6 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -110.38 114.05 27.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -50.14 129.64 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 p -157.2 -176.33 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.26 -33.25 74.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 38.5 mt -89.37 -1.6 58.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 tt -139.57 106.14 5.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 t -104.27 130.44 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.8 t -121.35 111.87 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -99.28 158.21 15.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.9 ttp -147.58 115.17 6.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -112.02 45.65 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.439 ' HA3' ' CG2' ' A' ' 37' ' ' VAL . . . 80.64 -88.68 1.32 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.426 ' HG2' ' C ' ' A' ' 36' ' ' ARG . 52.3 mtm180 -99.69 25.09 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.852 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -141.84 124.1 15.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -126.26 113.05 16.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -129.76 141.83 50.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 67' ' ' LEU . 2.6 tt -107.4 121.99 45.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' A' ' 29' ' ' VAL . 12.7 mt -99.41 153.7 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.453 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 30.3 mt -140.3 119.32 8.6 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.622 0.725 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -38.18 8.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -134.42 100.94 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.13 103.48 13.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -99.17 169.37 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.3 t -52.8 -32.34 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -69.36 -38.91 78.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -24.68 62.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.2 p -60.25 116.04 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 179.19 -177.16 48.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -97.74 128.47 44.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -107.16 155.95 19.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.451 ' OE1' ' C ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -151.0 140.0 21.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 39.3 t -106.23 83.56 1.91 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.405 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 13.4 ttt180 -64.68 134.07 53.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.3 t -145.41 173.17 12.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -72.21 68.54 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.06 -66.59 0.21 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.447 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.4 m -142.63 -177.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 111.086 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.78 148.8 37.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.55 166.16 10.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -136.26 123.22 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.455 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 83.7 m-85 -124.71 124.07 41.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.42 115.87 5.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.532 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.1 t -114.54 149.68 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.5 m -145.09 115.15 7.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.1 t -102.54 97.96 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -83.73 125.42 31.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -67.4 130.67 93.35 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.569 0.699 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.45 ' CD ' ' HB ' ' A' ' 24' ' ' THR . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.166 0 C-N-CA 122.697 2.264 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.421 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.83 0.262 . . . . 0.0 112.365 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.415 HG11 ' CE2' ' A' ' 39' ' ' PHE . 14.7 p -165.47 130.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -126.53 163.84 22.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.8 mt -90.42 138.76 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mt -104.78 -33.91 8.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 40.9 t -153.23 130.52 5.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.702 0.763 . . . . 0.0 110.823 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.9 Cg_endo -69.72 179.71 21.46 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.345 -0.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -100.14 -34.93 9.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -142.68 174.21 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 18.5 tptm -44.14 146.44 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.436 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 18.1 m -125.4 -179.92 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.5 p -150.97 119.07 6.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mt -130.78 156.43 44.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.435 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 19.7 m -140.07 155.04 47.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.435 ' CG ' ' O ' ' A' ' 21' ' ' THR . 78.0 m-85 -158.08 174.37 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.441 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 33.5 m -110.08 143.52 40.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.9 m -47.15 146.27 1.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 m 63.46 46.43 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 23' ' ' THR . 5.8 mm-40 -130.68 178.43 6.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 -106.1 116.75 32.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.5 t -114.44 128.52 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.473 ' CG2' HG12 ' A' ' 68' ' ' ILE . 28.3 t -133.49 124.4 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.9 mt -94.08 -177.1 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.1 m -158.3 142.25 15.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.8 t -150.54 158.03 43.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -136.69 148.05 47.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.2 mt -126.29 172.57 9.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.7 p -87.45 -25.11 23.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.421 ' CZ ' ' O ' ' A' ' 8' ' ' PRO . 18.0 mtm180 -114.65 145.37 42.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.44 ' CG2' ' HA3' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -93.28 157.86 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t70 51.03 46.02 26.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.512 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 11.9 t80 -108.14 139.58 20.84 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.733 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.78 152.37 69.2 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.16 172.3 16.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.462 HG23 ' CZ ' ' A' ' 44' ' ' TYR . 26.5 m -142.54 129.48 20.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -88.67 125.79 35.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.462 ' CZ ' HG23 ' A' ' 42' ' ' THR . 78.2 m-85 -119.06 139.23 52.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.932 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -126.89 132.05 51.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 t0 50.65 34.71 10.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.849 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.75 37.27 92.25 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -153.34 127.21 8.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -43.36 139.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.5 m -84.73 155.72 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -105.69 107.09 17.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.03 117.54 6.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.7 t -159.11 -177.05 6.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -58.64 -33.72 70.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.4 mt -79.11 -14.59 59.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tt -131.62 107.38 8.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.2 t -103.28 127.97 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.1 t -116.13 102.91 14.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -100.45 147.57 25.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -143.7 132.89 23.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -126.11 81.4 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.44 ' HA3' ' CG2' ' A' ' 37' ' ' VAL . . . 63.79 -84.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.438 ' N ' HG23 ' A' ' 37' ' ' VAL . 0.8 OUTLIER -120.02 34.08 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.877 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -139.84 112.72 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -111.65 126.39 54.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -137.04 144.68 43.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.462 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -110.82 116.85 31.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.473 HG12 ' CG2' ' A' ' 29' ' ' VAL . 50.7 mt -101.17 150.42 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.7 mt -138.04 118.69 10.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.722 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -38.4 7.99 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.384 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -135.06 93.81 3.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.93 101.06 5.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -95.56 166.86 11.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.4 t -54.74 -23.99 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -77.71 -26.85 50.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.77 -23.91 62.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 p -57.52 103.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.63 -179.79 41.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -98.84 133.13 43.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -107.35 153.8 22.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -148.79 129.37 14.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.9 t -98.67 82.99 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -64.23 131.64 47.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.2 t -142.85 175.01 10.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -72.12 72.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 158.05 -67.38 0.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.6 m -141.46 -177.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.22 153.22 43.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.43 172.44 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -142.14 124.6 15.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.436 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 92.7 m-85 -127.77 115.22 18.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.74 114.92 4.63 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.96 131.35 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.0 m -126.9 121.85 32.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.6 t -104.67 99.69 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -87.1 125.54 34.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -68.24 133.0 91.5 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 -179.943 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.83 0.262 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 85' ' ' GLU . 4.6 p -149.7 128.45 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -128.95 134.51 48.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.404 ' CG1' HD21 ' A' ' 34' ' ' LEU . 29.1 mt -67.7 144.86 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt -110.8 -31.59 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.52 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 14.9 m -154.5 135.65 8.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.664 0.745 . . . . 0.0 110.819 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.8 Cg_endo -69.74 177.26 29.42 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.336 -0.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -92.53 -35.29 13.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -147.61 177.8 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -45.34 130.47 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.3 m -110.86 -178.12 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 t -152.57 134.05 14.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -143.2 158.4 43.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.7 m -138.63 152.83 48.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -155.55 171.01 20.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.468 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 35.1 m -107.11 149.68 27.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.8 m -49.53 144.31 5.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 m 62.66 47.36 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 23' ' ' THR . 6.2 mm-40 -126.8 174.24 8.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.0 ttt85 -103.51 121.81 43.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.2 t -116.82 133.36 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.462 ' CG2' HG12 ' A' ' 68' ' ' ILE . 24.7 t -140.44 109.81 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -78.14 -175.08 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.547 ' O ' ' CZ ' ' A' ' 91' ' ' PHE . 28.7 m -160.15 145.81 15.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.7 t -155.02 152.17 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -127.96 150.9 49.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.404 HD21 ' CG1' ' A' ' 11' ' ' ILE . 27.2 mt -134.07 169.82 16.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 t -104.14 34.84 2.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -161.21 118.94 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.72 146.23 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 t70 55.34 49.59 16.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.524 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 3.4 t80 -108.12 140.61 21.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.662 0.744 . . . . 0.0 110.89 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.0 Cg_endo -69.77 156.04 64.33 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.69 149.94 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.5 m -127.97 130.54 48.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.4 ' CD1' HG22 ' A' ' 58' ' ' VAL . 68.5 m95 -84.1 134.2 34.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -125.9 143.82 50.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.988 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -132.21 127.86 36.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 t0 51.2 36.27 15.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.59 35.9 75.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.434 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -149.06 118.53 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -46.3 139.25 4.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 m -91.3 143.68 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -104.76 104.71 14.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.404 ' CD ' HG13 ' A' ' 58' ' ' VAL . 25.5 mt-10 -51.9 112.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.6 p -140.81 -175.39 4.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.2 -32.41 71.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.3 mt -88.04 -13.33 41.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 tt -132.87 99.64 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' ILE . 59.6 t -101.89 151.49 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.434 ' O ' ' CG1' ' A' ' 58' ' ' VAL . 3.4 p -154.61 125.29 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -104.44 166.25 10.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.548 ' HG3' ' CE1' ' A' ' 65' ' ' HIS . 2.9 ttp -145.08 105.11 4.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.8 t70 -107.1 102.15 11.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 47.98 -93.21 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 61' ' ' ASP . 14.5 ptt180 -117.54 37.46 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -139.4 116.65 11.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.548 ' CE1' ' HG3' ' A' ' 60' ' ' MET . 33.9 m-70 -112.25 139.13 48.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -151.54 141.69 22.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 tt -109.96 121.73 45.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.509 ' CG2' ' N ' ' A' ' 69' ' ' LEU . 26.3 mt -98.23 157.2 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.509 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 43.7 mt -143.98 119.15 6.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -39.84 5.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.656 2.237 . . . . 0.0 112.333 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -134.47 103.17 5.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.83 96.84 5.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.88 153.5 21.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.2 t -47.76 -29.54 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -76.9 -32.1 57.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -61.85 -21.96 65.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.0 p -64.37 125.96 26.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.9 -152.91 13.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -116.48 130.8 56.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -106.36 154.13 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -148.03 130.27 15.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 11.8 t -99.38 74.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -58.17 134.34 56.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.9 t -150.82 166.06 31.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.485 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -66.42 76.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.27 -72.03 0.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.8 m -137.59 175.9 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.4 147.64 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.16 179.75 4.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -151.13 127.65 10.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.547 ' CZ ' ' O ' ' A' ' 31' ' ' THR . 81.7 m-85 -128.1 119.03 24.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.54 120.36 5.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.4 t -120.85 143.87 31.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 0.0 111.111 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.2 m -140.87 112.69 7.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.5 t -98.48 112.75 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -107.14 126.16 52.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -66.41 138.91 95.96 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.594 0.711 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.468 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.357 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.856 0.273 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.3 p -164.68 134.59 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -135.51 130.94 35.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -52.91 150.25 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 mt -114.69 -35.28 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.512 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 1.6 t -149.24 132.73 8.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.741 . . . . 0.0 110.831 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.81 178.89 24.01 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.345 -0.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -96.59 -38.06 10.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' LYS . 2.0 p30 -140.54 164.07 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ASP . 29.5 tttt -35.43 130.01 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 m -109.66 155.8 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -125.63 126.99 45.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.7 mt -139.87 155.63 47.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -140.55 134.75 31.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -134.01 165.39 25.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.449 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 89.1 m -103.57 150.8 23.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.168 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.471 HG21 ' N ' ' A' ' 25' ' ' SER . 61.8 m -52.16 144.6 12.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.471 ' N ' HG21 ' A' ' 24' ' ' THR . 66.8 m 64.07 49.88 2.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -135.71 178.43 7.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -103.24 116.24 32.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.9 t -110.52 112.58 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 p -127.87 122.61 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.7 mt -92.37 -174.79 3.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.6 m -153.57 135.54 14.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.0 t -146.69 141.59 26.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -123.35 153.25 40.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.403 HD11 ' CD2' ' A' ' 65' ' ' HIS . 55.2 mt -129.91 171.62 12.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.3 p -89.4 -28.86 19.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -101.25 145.74 28.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.3 t -96.11 141.87 14.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 62.31 36.26 14.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.507 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 16.2 t80 -94.31 139.5 22.47 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.642 0.735 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.2 Cg_endo -69.78 149.52 66.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.622 2.215 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.42 174.7 13.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.5 m -149.75 144.6 26.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -97.51 125.59 42.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -122.86 136.86 55.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -123.28 132.7 54.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t70 46.79 37.97 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.39 40.15 97.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -150.73 124.16 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -47.38 140.76 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.4 m -88.94 152.46 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -107.63 98.52 8.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 mp0 -51.49 124.26 11.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 56' ' ' LEU . 24.0 p -162.18 174.43 12.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -49.28 -38.19 26.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.3 mt -74.52 -21.8 59.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 53' ' ' SER . 5.9 tt -129.42 106.93 9.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.5 t -101.73 130.96 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.9 t -121.86 108.93 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -99.15 146.82 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.507 ' HG3' ' CE1' ' A' ' 65' ' ' HIS . 2.4 ttt -124.45 147.65 48.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.466 ' N ' ' HG2' ' A' ' 60' ' ' MET . 4.8 m-20 -161.07 152.42 19.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 63' ' ' ARG . . . -35.14 121.64 0.49 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 62' ' ' GLY . 2.6 ptp180 33.94 42.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.863 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -156.27 115.4 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.507 ' CE1' ' HG3' ' A' ' 60' ' ' MET . 50.8 m-70 -128.99 141.37 51.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -154.2 152.36 30.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.404 HD21 ' C ' ' A' ' 67' ' ' LEU . 3.5 tt -113.66 126.2 55.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 69' ' ' LEU . 14.3 mt -103.61 152.3 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 18.2 mt -139.99 119.42 8.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.719 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -39.4 6.52 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.632 2.221 . . . . 0.0 112.334 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -131.51 120.48 23.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.44 99.0 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' ASP . 12.2 pttm -94.82 146.35 24.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.933 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.9 t -42.21 -32.84 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -68.65 -38.23 80.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' LYS . 21.0 m-20 -52.56 -31.93 38.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.2 p -55.19 119.76 6.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.18 175.63 39.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -80.46 126.75 31.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -106.42 131.65 53.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.559 ' HG3' ' CE1' ' A' ' 90' ' ' PHE . 5.6 tt0 -121.36 138.34 54.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 34.9 t -119.27 82.36 1.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -74.34 144.41 44.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.41 ' HG1' ' N ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -128.43 -75.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.41 ' N ' ' HG1' ' A' ' 84' ' ' THR . 0.9 OUTLIER -117.12 -65.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.21 -17.64 1.77 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.27 174.01 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.82 150.11 17.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.836 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.91 136.32 42.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 81' ' ' GLU . 3.4 m-85 -102.08 135.83 42.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -126.95 113.78 16.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -84.07 110.16 3.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.438 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 84.1 t -112.51 145.09 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.4 m -142.28 112.31 6.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.9 t -95.28 111.58 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -104.83 128.79 53.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -73.56 134.91 78.81 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.635 0.731 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.449 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.808 0.253 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.513 HG11 ' CE2' ' A' ' 39' ' ' PHE . 6.3 p -158.73 138.56 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -136.82 147.32 46.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.2 mt -73.93 145.81 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.429 HD13 ' CD ' ' A' ' 33' ' ' GLU . 3.4 mt -109.36 -33.48 6.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.528 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 47.6 t -155.47 136.68 9.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.75 -178.11 16.0 Favored 'Cis proline' 0 C--O 1.231 0.15 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.322 -0.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -97.31 -34.72 10.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -145.04 167.43 22.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -40.22 131.66 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 m -108.54 -179.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 t -144.68 132.03 20.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mt -144.44 158.14 43.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.6 m -143.1 140.48 30.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -141.73 175.16 9.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.2 m -108.11 145.13 34.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 25' ' ' SER . 58.9 m -51.4 140.55 17.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.451 ' N ' HG22 ' A' ' 24' ' ' THR . 10.4 m 69.32 48.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -133.07 163.62 28.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -94.75 114.74 26.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.3 t -108.17 143.65 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.502 ' CG2' HG12 ' A' ' 68' ' ' ILE . 59.8 t -145.52 105.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.5 mt -75.83 -174.97 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 m -161.34 136.37 7.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.4 t -151.98 146.98 26.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' CD ' HD13 ' A' ' 12' ' ' LEU . 50.9 tt0 -118.7 153.04 35.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.0 mt -135.13 175.31 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 t -107.48 32.14 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.416 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 26.0 mtp85 -159.32 121.53 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.429 HG23 ' NE ' ' A' ' 63' ' ' ARG . 25.5 t -75.72 144.2 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 50.16 51.56 16.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.52 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 10.5 t80 -104.21 139.66 20.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.79 142.73 48.59 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.657 2.238 . . . . 0.0 112.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.94 170.54 21.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.472 HG22 ' CZ ' ' A' ' 44' ' ' TYR . 94.6 m -146.72 113.17 5.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -70.51 135.65 48.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.472 ' CZ ' HG22 ' A' ' 42' ' ' THR . 63.8 m-85 -126.11 135.61 51.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -124.48 128.74 49.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 t70 49.48 41.31 20.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.03 39.37 97.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.461 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -148.45 130.62 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 39.4 tttt -56.25 141.85 39.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.4 m -93.67 154.61 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -107.28 126.36 52.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -75.91 111.79 11.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 t -157.88 177.69 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.799 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -49.08 -39.64 28.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.7 mt -71.02 -23.39 62.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.0 tt -131.15 105.48 7.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.1 t -102.49 137.88 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.0 t -129.0 123.89 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -119.12 162.52 18.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.49 ' SD ' ' CE1' ' A' ' 65' ' ' HIS . 31.0 ttp -141.16 113.87 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.96 77.2 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 39.28 93.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.429 ' NE ' HG23 ' A' ' 37' ' ' VAL . 64.3 mtt180 65.32 25.37 12.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.901 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -133.79 105.79 6.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.49 ' CE1' ' SD ' ' A' ' 60' ' ' MET . 82.6 m-70 -109.57 116.26 31.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -132.44 144.2 50.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.436 HD12 ' CD2' ' A' ' 80' ' ' PHE . 3.2 tt -111.03 122.37 47.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.502 HG12 ' CG2' ' A' ' 29' ' ' VAL . 17.4 mt -102.16 152.51 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.424 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 29.2 mt -139.08 118.86 9.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -37.59 8.81 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.664 2.243 . . . . 0.0 112.304 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -134.02 99.72 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.55 98.78 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -91.99 -179.07 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.64 -27.68 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -66.15 -43.13 87.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.423 ' CG ' HD12 ' A' ' 69' ' ' LEU . 17.2 t70 -60.37 -11.99 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -69.08 90.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -161.46 -144.79 4.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -126.55 133.95 50.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.436 ' CD2' HD12 ' A' ' 67' ' ' LEU . 9.3 m-85 -106.48 163.89 12.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -157.15 131.31 8.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 52.5 t -97.09 77.52 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -59.07 124.41 19.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.442 ' CG2' ' O ' ' A' ' 87' ' ' VAL . 14.5 t -138.36 165.73 26.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.06 80.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.96 -69.16 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.442 ' O ' ' CG2' ' A' ' 84' ' ' THR . 27.7 m -135.7 -177.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.09 154.09 37.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.78 171.66 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -141.77 120.69 12.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -119.03 112.26 19.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.32 95.79 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 97.1 t -97.96 143.5 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.398 . . . . 0.0 111.09 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.1 m -147.24 112.46 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.212 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.7 t -95.71 108.58 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -98.01 122.91 41.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -61.61 139.68 95.16 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.573 0.701 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.232 . . . . 0.0 112.351 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 CA-C-O 120.847 0.27 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.411 ' CG1' ' O ' ' A' ' 85' ' ' GLU . 6.3 p -148.21 129.59 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -127.6 133.78 49.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.6 mt -69.4 144.44 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mt -107.86 -37.86 5.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 39.7 t -150.2 135.52 9.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.71 -178.27 16.28 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.386 -0.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -96.36 -40.44 9.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -143.62 173.93 11.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -40.52 132.62 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 27.4 m -113.56 178.5 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 m -147.95 122.83 10.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -133.72 162.0 33.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.5 m -140.02 150.87 44.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CD2' HG23 ' A' ' 28' ' ' VAL . 82.0 m-85 -151.93 175.26 12.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.1 m -111.09 155.41 22.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 25' ' ' SER . 60.5 m -61.32 140.87 57.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 24' ' ' THR . 19.8 m 66.23 47.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -131.19 175.8 8.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.4 ttt85 -104.26 112.89 26.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.404 HG23 ' CD2' ' A' ' 22' ' ' PHE . 54.4 t -109.55 132.95 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.458 ' CG2' HG12 ' A' ' 68' ' ' ILE . 16.7 t -138.34 114.45 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.5 mt -81.44 -175.06 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 m -157.69 142.72 16.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.1 t -163.44 133.97 4.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -107.53 142.5 37.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.573 HD11 ' CD2' ' A' ' 65' ' ' HIS . 27.7 mt -116.42 171.99 7.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 t -108.65 25.83 11.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.461 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 13.3 mtp85 -150.57 117.7 5.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 38' ' ' ASP . 98.6 t -75.23 136.58 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.427 ' N ' HG12 ' A' ' 37' ' ' VAL . 1.3 m-20 62.14 42.68 9.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.475 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 3.8 t80 -103.4 139.09 19.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.4 Cg_endo -69.81 150.0 67.3 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.3 159.74 37.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.2 m -138.77 120.8 15.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -81.21 138.48 35.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.51 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 69.3 m-85 -129.29 135.81 49.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.955 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -117.9 132.89 56.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 t70 46.24 38.83 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.45 37.44 92.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.507 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -148.26 128.86 14.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.51 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 16.7 ttmt -48.33 144.31 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 m -94.4 147.6 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -102.38 115.6 30.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.0 115.21 5.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 t -156.75 179.35 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -55.45 -31.06 61.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.5 mt -80.41 -16.56 54.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.5 tt -131.49 107.34 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.8 t -105.06 132.72 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.1 t -124.42 120.43 59.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -104.75 134.41 47.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.554 ' HG3' ' CE1' ' A' ' 65' ' ' HIS . 0.7 OUTLIER -125.15 119.02 27.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -133.78 102.1 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 44.58 -98.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -112.01 38.04 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.367 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -135.2 113.28 11.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.573 ' CD2' HD11 ' A' ' 34' ' ' LEU . 39.1 m-70 -122.94 126.06 46.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -142.36 161.39 38.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.69 118.42 29.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.458 HG12 ' CG2' ' A' ' 29' ' ' VAL . 61.5 mt -100.98 153.37 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.439 ' N ' HG21 ' A' ' 68' ' ' ILE . 45.6 mt -142.42 118.48 6.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 110.918 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -37.31 9.46 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -133.42 98.81 4.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.21 92.34 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.085 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -84.65 153.83 22.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.2 t -43.15 -38.08 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -60.55 -41.19 94.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -48.88 -35.21 14.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.5 p -48.46 103.76 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.21 -151.74 7.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -123.6 129.15 50.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -107.0 144.03 34.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -138.09 130.15 28.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 48.7 t -91.83 76.28 5.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -59.57 127.25 31.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.8 t -143.49 167.27 22.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.411 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -65.69 79.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 151.47 -72.72 0.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.7 m -136.68 -177.25 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 111.13 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.17 150.73 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.28 172.11 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -134.92 129.5 34.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.457 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 94.5 m-85 -128.52 123.5 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.98 120.38 6.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.409 HG11 ' N ' ' A' ' 94' ' ' THR . 94.2 t -117.57 135.78 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 111.189 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.409 ' N ' HG11 ' A' ' 93' ' ' VAL . 52.8 m -130.42 109.95 11.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.0 t -95.91 105.3 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -97.78 125.82 42.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -72.08 130.43 86.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.634 0.73 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.788 0.245 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 10' ' ' HIS . 5.8 p -159.33 136.25 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.167 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.418 ' N ' HG23 ' A' ' 9' ' ' VAL . 7.0 p-80 -129.0 133.95 47.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.7 mt -57.31 148.15 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 mt -116.47 -34.82 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 29.6 t -150.01 129.17 6.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.687 0.756 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.77 -174.02 9.11 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.364 -0.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -101.11 -36.66 8.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -145.0 175.88 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 tptm -48.51 130.79 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 28.4 m -110.47 170.23 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.4 t -135.07 132.13 37.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mt -147.25 149.38 32.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 m -131.69 131.94 43.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -132.75 169.02 17.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 25.6 m -110.58 151.44 27.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.3 m -51.62 149.64 4.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 p 60.49 45.45 10.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 23' ' ' THR . 9.4 mm-40 -129.4 176.1 8.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -104.1 117.34 34.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.3 t -114.5 114.2 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -127.96 116.16 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.6 mt -87.53 -175.01 5.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.0 m -157.52 135.24 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.2 t -141.56 153.99 45.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -134.24 151.75 51.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.5 mt -127.61 173.94 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -87.19 -22.97 24.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -116.72 145.46 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.471 HG22 ' N ' ' A' ' 63' ' ' ARG . 0.4 OUTLIER -91.8 163.1 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 2.9 p30 47.31 42.09 13.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.515 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 23.0 t80 -103.34 139.29 19.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.2 Cg_endo -69.72 149.35 67.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -161.1 177.82 9.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.466 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 23.3 m -154.49 141.6 19.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -94.13 143.81 26.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.466 ' CZ ' HG21 ' A' ' 42' ' ' THR . 96.9 m-85 -140.32 151.25 44.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -131.92 126.47 34.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 51.71 38.06 21.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.83 29.97 66.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -133.75 155.8 49.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.446 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 74.4 tttt -83.8 126.7 33.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.1 m -75.06 157.43 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -112.59 107.42 16.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -59.7 118.24 5.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 p -154.8 -178.44 7.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -54.96 -38.09 67.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.5 mt -80.35 -10.44 59.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -131.01 104.9 7.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.4 t -102.12 135.62 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.3 t -128.15 104.83 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -99.26 134.21 42.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.419 ' SD ' ' C ' ' A' ' 60' ' ' MET . 0.4 OUTLIER -121.32 134.98 55.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -134.76 88.61 2.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.43 ' C ' HG22 ' A' ' 37' ' ' VAL . . . 51.79 -95.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.471 ' N ' HG22 ' A' ' 37' ' ' VAL . 10.7 ptt180 -109.62 32.13 5.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -142.41 107.59 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -111.19 130.33 55.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -140.83 142.38 34.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 tt -107.35 124.2 49.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.4 mt -103.26 148.36 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.41 HD11 ' CG ' ' A' ' 76' ' ' ASP . 53.6 mt -137.14 119.67 11.45 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.615 0.722 . . . . 0.0 110.958 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -36.08 11.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -132.81 114.71 14.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.25 95.07 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -86.93 148.07 25.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.5 t -42.2 -37.01 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -64.64 -40.52 95.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.41 ' CG ' HD11 ' A' ' 69' ' ' LEU . 20.0 t0 -49.56 -31.77 11.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 p -55.06 124.74 17.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.17 176.42 32.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -80.62 131.81 35.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -107.1 128.34 54.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -116.67 136.67 52.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 17.3 t -114.72 78.24 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.2 mtp85 -66.06 128.72 37.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.22 -74.3 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.44 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 4.5 tp10 -119.69 -64.9 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.14 -22.26 1.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.435 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.7 m -113.33 172.78 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.29 162.58 40.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.427 ' HB1' ' CE1' ' A' ' 91' ' ' PHE . . . -102.78 170.17 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.03 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -135.56 115.37 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.457 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 79.7 m-85 -115.72 113.91 24.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.48 117.56 4.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.2 t -120.55 145.94 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.927 0.394 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.7 m -142.31 109.4 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.1 t -96.27 96.76 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -95.41 122.35 38.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -63.27 134.83 95.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.565 0.698 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.465 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.795 0.248 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.8 p -164.72 153.62 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -154.93 135.04 13.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -60.5 145.81 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 mt -110.39 -36.16 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.526 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 2.2 t -152.32 137.22 10.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.676 0.751 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.74 -176.16 12.12 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.378 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -99.88 -37.5 9.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.24 170.04 16.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.2 tptm -44.62 134.0 5.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 30.6 m -113.56 170.95 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.1 p -142.47 131.8 23.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -140.91 165.94 26.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.1 m -142.49 144.53 33.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -145.58 170.55 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.418 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 57.7 m -113.37 152.8 29.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 25' ' ' SER . 89.2 m -51.99 143.91 12.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.447 ' N ' HG22 ' A' ' 24' ' ' THR . 8.8 m 62.54 49.01 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.801 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -130.32 178.35 6.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -104.43 114.2 28.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.6 t -108.15 112.69 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.14 109.81 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.7 mt -79.28 -174.38 4.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.47 ' O ' ' CE2' ' A' ' 91' ' ' PHE . 21.9 m -155.34 137.17 14.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.1 t -151.74 148.41 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -124.85 155.79 38.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.543 HD11 ' CD2' ' A' ' 65' ' ' HIS . 60.0 mt -136.21 -177.47 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 t -114.77 8.32 16.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.425 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 2.4 mmp_? -135.27 140.9 45.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.47 HG21 ' CG ' ' A' ' 63' ' ' ARG . 71.0 t -96.11 153.12 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 51.97 31.76 9.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.524 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 6.7 t80 -91.4 140.07 25.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.65 0.738 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.2 Cg_endo -69.78 148.16 64.31 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.254 . . . . 0.0 112.347 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.75 170.03 19.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.5 m -154.5 136.92 14.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -88.27 138.23 31.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.529 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 96.5 m-85 -132.98 132.75 42.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -117.27 128.28 54.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 50.26 42.95 26.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.52 38.2 95.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.476 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -146.91 124.56 11.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.529 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 43.3 tttm -50.2 144.72 6.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.3 m -90.28 151.77 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -98.92 119.38 37.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -77.29 115.59 17.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.7 p -159.15 -179.38 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -53.92 -34.35 59.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.9 mt -79.43 -11.81 59.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tt -132.7 105.55 7.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.447 ' CG1' ' HD3' ' A' ' 59' ' ' LYS . 13.9 t -102.01 125.67 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.2 t -112.46 112.65 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HD3' ' CG1' ' A' ' 57' ' ' VAL . 5.6 mmmm -102.42 133.79 46.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.466 ' HG3' ' CE1' ' A' ' 65' ' ' HIS . 5.3 ttp -123.47 102.13 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.16 75.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.15 -95.87 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.509 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.47 ' CG ' HG21 ' A' ' 37' ' ' VAL . 25.2 mtt180 -95.59 -19.11 20.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -93.24 123.34 36.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.543 ' CD2' HD11 ' A' ' 34' ' ' LEU . 21.6 m-70 -123.21 129.26 51.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.823 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -142.24 155.02 45.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.466 HD21 ' N ' ' A' ' 68' ' ' ILE . 3.1 tt -119.09 123.56 44.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.466 ' N ' HD21 ' A' ' 67' ' ' LEU . 17.5 mt -100.0 151.34 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 30.8 mt -140.3 119.2 8.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.616 0.722 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -38.93 7.18 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.379 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -129.35 109.87 11.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.25 93.23 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -84.59 146.08 27.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.9 t -43.76 -31.58 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -68.93 -39.28 79.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -52.15 -33.52 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 p -52.67 139.2 26.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.37 -159.48 28.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -103.72 129.64 51.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -107.43 130.56 54.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -119.95 132.23 55.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.0 t -110.1 95.97 5.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -86.79 150.84 23.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.0 -75.12 0.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.414 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 17.9 tt0 -118.28 -65.16 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.33 -22.74 1.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.2 m -114.88 158.64 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.53 168.35 19.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.4 ' C ' ' CD1' ' A' ' 90' ' ' PHE . . . -108.18 179.18 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 89' ' ' ALA . 55.4 m-85 -146.94 125.39 12.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.47 ' CE2' ' O ' ' A' ' 31' ' ' THR . 62.4 m-85 -128.82 117.78 21.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.72 130.09 9.48 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 94' ' ' THR . 85.4 t -131.25 142.64 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.426 ' N ' HG13 ' A' ' 93' ' ' VAL . 64.3 m -141.18 109.43 5.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.7 t -94.04 100.76 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -94.24 121.7 36.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -66.24 133.05 94.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.418 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.772 0.238 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 85' ' ' GLU . 1.5 p -142.27 132.13 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.543 ' CE1' ' OG ' ' A' ' 35' ' ' SER . 29.0 p-80 -134.69 131.38 37.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.9 mt -66.5 139.7 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -105.44 -32.6 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.513 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 30.1 t -158.85 130.83 4.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.654 0.74 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.3 Cg_endo -69.82 -169.89 5.46 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.342 0.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -125.54 -29.48 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -135.39 158.58 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.568 ' HZ3' ' N ' ' A' ' 92' ' ' GLY . 16.3 tptp -40.06 129.95 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 m -108.79 178.04 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -149.97 118.72 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mt -130.61 153.76 48.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.423 HG22 ' NE2' ' A' ' 96' ' ' GLN . 17.9 m -139.88 136.2 33.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -135.58 167.05 21.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.488 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 78.1 m -102.92 144.66 30.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.132 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.1 m -46.13 156.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.4 p 51.78 51.0 17.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 23' ' ' THR . 31.5 mm-40 -137.52 174.16 10.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -99.16 115.88 30.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.2 t -110.61 116.04 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.17 119.32 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.7 mt -89.31 -176.69 5.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 m -150.41 143.07 24.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.7 t -153.89 145.47 23.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -123.56 150.32 44.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.425 HD12 ' CD2' ' A' ' 65' ' ' HIS . 74.9 mt -130.75 173.97 10.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.543 ' OG ' ' CE1' ' A' ' 10' ' ' HIS . 5.5 t -105.99 5.87 30.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -130.68 117.05 18.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.454 HG23 ' NE ' ' A' ' 63' ' ' ARG . 96.0 t -73.62 136.7 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t0 63.91 52.93 2.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.523 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.2 t80 -113.32 140.59 24.56 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.73 163.09 39.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.87 163.16 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.3 m -141.41 123.27 15.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -77.83 132.24 37.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -123.98 133.39 53.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -113.75 130.08 56.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 t0 49.95 39.81 19.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.13 22.81 77.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -128.05 155.98 43.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -80.26 127.11 31.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.9 m -83.54 155.54 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -108.26 140.61 41.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -87.63 113.91 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -151.78 -176.18 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -58.74 -25.76 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.413 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 75.6 mt -88.77 -13.33 39.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 tt -133.46 105.05 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 t -102.13 135.67 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.9 t -125.82 108.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -99.18 135.35 40.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.6 ttt -116.14 153.11 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -164.2 156.68 17.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -39.84 106.03 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.454 ' NE ' HG23 ' A' ' 37' ' ' VAL . 50.6 mtt180 53.85 42.68 31.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.893 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -154.5 122.58 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.425 ' CD2' HD12 ' A' ' 34' ' ' LEU . 52.1 m-70 -137.03 115.06 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -129.59 148.94 51.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 tt -111.35 122.19 47.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 69' ' ' LEU . 22.1 mt -100.78 152.11 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.432 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 10.7 mt -140.04 119.55 8.88 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.601 0.715 . . . . 0.0 110.912 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -37.37 9.21 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -134.02 112.8 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.19 94.27 9.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -88.24 152.47 21.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.2 t -49.11 -29.69 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -69.12 -34.89 75.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.61 -10.45 56.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 m -68.9 104.96 2.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.08 -159.82 20.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.454 ' OE2' ' N ' ' A' ' 91' ' ' PHE . 32.6 tp10 -107.85 134.45 50.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -106.28 153.79 21.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -150.23 131.55 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 52.9 t -99.76 76.1 1.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -57.95 133.82 55.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.2 t -152.13 166.78 30.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 7.1 tp10 -69.47 77.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 156.74 -68.51 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 36.0 m -140.88 -177.71 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.21 146.13 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.49 165.83 10.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -136.33 122.11 19.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.454 ' N ' ' OE2' ' A' ' 79' ' ' GLU . 77.6 m-85 -123.52 117.16 24.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.568 ' N ' ' HZ3' ' A' ' 17' ' ' LYS . . . -89.04 104.59 3.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 98.1 t -103.14 142.77 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.1 m -139.95 120.2 13.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.7 t -105.29 101.78 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.423 ' NE2' HG22 ' A' ' 21' ' ' THR . 38.6 mt-30 -97.01 118.49 33.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -56.22 133.37 75.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 -179.945 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.802 0.251 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.532 HG12 ' CZ ' ' A' ' 39' ' ' PHE . 5.9 p -133.86 113.11 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -113.49 142.31 46.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.2 mt -79.94 138.45 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mt -98.84 -31.6 11.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.535 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 3.4 m -159.97 144.15 10.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.709 0.766 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.0 Cg_endo -69.72 171.88 51.46 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.346 -0.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -89.62 -29.14 19.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -148.93 165.27 32.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.18 129.1 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.6 m -110.58 153.8 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -118.85 136.14 54.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mt -138.05 157.2 46.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -143.5 137.21 28.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -143.21 179.24 7.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.451 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 52.9 m -115.74 141.9 47.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.418 HG23 ' N ' ' A' ' 25' ' ' SER . 85.0 m -47.33 139.68 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.418 ' N ' HG23 ' A' ' 24' ' ' THR . 7.6 t 72.67 44.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -134.46 174.12 10.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -98.5 121.42 40.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.3 t -118.51 116.0 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.101 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -125.93 117.36 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.6 mt -84.22 -174.74 5.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.449 HG21 ' N ' ' A' ' 32' ' ' CYS . 43.0 m -154.87 145.8 22.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.449 ' N ' HG21 ' A' ' 31' ' ' THR . 42.2 t -158.09 151.42 23.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -128.35 146.17 50.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.2 mt -124.08 -176.04 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 p -113.98 2.75 15.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.406 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 30.1 mtp180 -134.18 129.68 36.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 t -77.32 143.31 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 56.17 45.05 24.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.532 ' CZ ' HG12 ' A' ' 9' ' ' VAL . 7.2 t80 -98.65 139.96 21.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.685 0.755 . . . . 0.0 110.844 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.81 143.37 50.38 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.42 154.42 22.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.445 HG22 ' CE1' ' A' ' 44' ' ' TYR . 60.5 m -133.72 134.24 42.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -88.91 143.23 27.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.542 ' CD2' ' HA ' ' A' ' 49' ' ' LYS . 92.0 m-85 -136.03 145.66 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -127.29 128.49 46.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 t70 54.93 30.97 14.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.32 21.98 71.7 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.507 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -125.99 152.33 45.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.542 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 25.3 ttmt -75.39 127.97 34.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.3 m -79.06 167.66 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -124.1 140.1 53.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -88.18 117.53 27.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.7 p -156.95 -175.17 5.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -59.17 -32.8 70.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.6 mt -82.38 -15.23 53.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.454 HD21 ' CD2' ' A' ' 67' ' ' LEU . 1.2 tt -133.41 106.59 7.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.9 t -105.17 128.77 58.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.57 106.18 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -99.24 131.63 45.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.552 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 3.4 ttt -113.22 166.44 11.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 60' ' ' MET . 3.1 t0 -174.63 167.22 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -45.32 109.29 0.29 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.406 ' HG2' ' C ' ' A' ' 36' ' ' ARG . 51.6 mtt180 44.74 33.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -148.26 119.22 7.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -134.27 140.65 46.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -148.37 149.4 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.454 ' CD2' HD21 ' A' ' 56' ' ' LEU . 2.1 tt -109.33 119.92 40.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 69' ' ' LEU . 11.4 mt -98.47 151.86 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 51.0 mt -140.8 119.25 8.19 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.617 0.722 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -37.92 8.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.239 . . . . 0.0 112.322 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -134.95 103.84 5.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.94 90.38 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -80.33 156.89 26.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.64 -20.69 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -80.35 -26.4 38.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.94 -12.17 60.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.5 p -69.57 129.26 39.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.51 -152.9 23.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.452 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -110.2 131.63 54.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -107.8 148.15 29.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -141.88 135.27 29.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.9 t -99.8 91.06 4.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.7 ttp85 -65.48 119.94 11.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.6 164.22 28.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -75.85 60.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 177.4 -64.95 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 m -139.75 179.16 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.85 142.03 44.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.36 170.76 7.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -142.01 128.04 19.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -129.12 116.74 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -84.18 125.91 7.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 70.0 t -129.33 124.29 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 98.0 m -126.37 100.29 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.3 t -88.63 98.9 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -91.07 128.54 36.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.75 133.42 73.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.451 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.855 0.273 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -163.53 118.78 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.456 ' CD2' HD22 ' A' ' 12' ' ' LEU . 24.0 p-80 -106.75 163.47 12.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -88.02 147.15 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.456 HD22 ' CD2' ' A' ' 10' ' ' HIS . 6.6 mt -115.97 -32.64 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.483 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 36.1 t -157.5 127.1 3.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.8 Cg_endo -69.82 -173.84 8.95 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.317 0.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -99.91 -37.62 8.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.04 -70.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -155.95 142.31 18.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 14' ' ' PRO . 17.7 m -113.38 155.87 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -122.84 129.39 51.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mt -143.55 144.43 31.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -126.86 137.6 53.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -140.28 170.97 14.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.468 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 90.3 m -111.5 142.37 43.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.188 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.451 HG21 ' N ' ' A' ' 25' ' ' SER . 97.7 m -42.52 140.59 1.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.451 ' N ' HG21 ' A' ' 24' ' ' THR . 15.3 m 66.34 48.43 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 23' ' ' THR . 12.1 mm-40 -132.46 178.87 6.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -100.25 122.4 42.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.1 t -119.42 112.85 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.1 p -126.64 119.45 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.41 -174.74 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.5 m -155.55 129.41 8.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.7 t -136.44 138.57 41.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -118.69 145.96 45.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -127.23 174.31 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 p -106.23 29.5 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.422 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 13.2 mtt180 -156.14 112.9 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.441 ' CG2' ' HG3' ' A' ' 63' ' ' ARG . 12.5 t -71.77 150.68 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.416 ' N ' HG12 ' A' ' 37' ' ' VAL . 1.4 m-20 53.41 53.29 11.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.814 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' A' ' 85' ' ' GLU . 17.0 t80 -117.87 136.39 23.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.406 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.79 158.2 57.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.47 179.96 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.1 m -153.38 157.53 40.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -106.95 151.22 25.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.559 ' CD2' ' HA ' ' A' ' 49' ' ' LYS . 87.2 m-85 -143.88 153.56 42.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 75' ' ' GLN . 11.8 tttt -134.26 131.42 38.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 t70 41.63 37.2 0.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.51 33.5 58.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' LYS . 38.1 mt-30 -135.22 121.65 20.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.926 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 13.8 tttp -59.36 137.28 58.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.451 ' HB ' ' CD1' ' A' ' 56' ' ' LEU . 11.3 m -95.18 159.7 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -120.75 112.27 18.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -52.2 123.19 10.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.2 p -162.74 -175.4 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.12 -24.58 59.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.406 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 92.1 mt -90.3 -17.06 28.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.451 ' CD1' ' HB ' ' A' ' 50' ' ' VAL . 5.7 tt -136.43 105.05 5.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.03 140.12 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.7 t -130.21 118.54 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -106.97 169.74 8.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 29.7 ttp -149.82 106.64 3.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -114.81 76.24 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 61' ' ' ASP . . . 41.03 94.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.441 ' HG3' ' CG2' ' A' ' 37' ' ' VAL . 61.0 mtm180 63.68 24.98 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -132.49 100.94 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -110.02 106.94 16.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -122.03 140.45 52.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.2 tt -107.11 117.65 34.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.425 ' CG2' ' N ' ' A' ' 69' ' ' LEU . 11.4 mt -97.06 151.92 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.425 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 15.3 mt -140.89 119.18 8.1 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.604 0.716 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -37.93 8.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' OE1' ' NZ ' ' A' ' 73' ' ' LYS . 13.9 tt0 -125.71 118.08 24.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.07 90.44 8.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.4 ' NZ ' ' OE1' ' A' ' 71' ' ' GLU . 40.5 mttm -84.22 145.56 28.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.9 t -44.43 -35.75 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.438 ' O ' ' NZ ' ' A' ' 45' ' ' LYS . 35.7 mt-30 -63.54 -36.65 84.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -55.71 -25.33 39.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.3 p -63.89 104.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.82 178.92 47.71 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -80.47 129.25 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.389 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -108.61 134.55 51.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -123.74 147.15 47.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.9 t -125.29 98.26 5.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -83.2 121.68 27.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.68 -75.59 0.6 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.472 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 33.6 tp10 -123.16 -71.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.59 -8.37 4.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.5 m -120.69 174.21 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 111.105 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.9 149.34 14.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.99 167.1 10.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.093 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -134.97 142.12 46.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -141.77 123.99 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.83 110.53 3.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 94' ' ' THR . 61.6 t -108.67 136.87 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 111.116 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.42 ' N ' HG13 ' A' ' 93' ' ' VAL . 71.8 m -132.08 110.85 10.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.0 t -101.75 108.53 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -104.37 123.53 47.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -62.87 134.5 95.63 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.468 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.845 0.269 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.4 p -159.01 130.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 35' ' ' SER . 27.5 p-80 -132.26 144.36 50.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.9 mt -78.16 134.1 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.8 -34.74 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.527 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 58.0 p -151.62 138.03 11.62 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.9 Cg_endo -69.75 -168.54 4.46 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.32 -0.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -102.85 -22.39 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 17' ' ' LYS . 4.4 p30 -162.54 159.49 24.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 16' ' ' ASP . 8.5 tttt -34.15 128.88 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 29.1 m -107.87 169.34 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 t -140.0 128.67 23.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mt -136.28 167.93 20.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m -144.38 135.05 24.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -138.74 173.91 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.46 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 25.6 m -108.99 159.67 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.0 m -63.3 134.88 56.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 t 73.67 46.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -126.67 175.5 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -103.16 102.4 12.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.4 t -96.64 132.73 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.47 ' CG2' HG12 ' A' ' 68' ' ' ILE . 24.7 t -140.75 120.44 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.9 mt -92.86 -175.41 3.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.3 m -159.21 137.61 10.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.9 t -151.11 136.92 18.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -116.18 145.22 43.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.528 HD12 ' CD2' ' A' ' 65' ' ' HIS . 81.2 mt -124.68 -176.01 3.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.558 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 60.2 p -106.02 -10.2 16.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -119.66 135.64 54.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.43 ' O ' ' CG ' ' A' ' 38' ' ' ASP . 17.5 t -86.71 152.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 2.9 p30 49.55 25.82 1.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.527 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.0 t80 -77.56 140.67 64.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.81 151.2 68.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -173.11 171.65 4.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.6 m -147.46 138.76 23.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -90.06 129.98 36.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -124.28 147.37 48.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 48' ' ' GLN . 15.7 tttm -128.59 135.46 49.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 t70 39.76 25.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . 86.42 34.91 11.21 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.52 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 45' ' ' LYS . 11.6 pt20 -140.27 133.16 29.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.926 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -67.2 125.8 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.2 m -73.37 170.66 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -132.6 103.16 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -49.26 113.35 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 t -152.45 -176.56 5.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.0 -32.74 66.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.5 mt -87.83 -1.31 57.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.41 HD21 ' CD2' ' A' ' 67' ' ' LEU . 3.4 tt -144.32 106.44 4.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 t -104.33 134.31 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.2 t -124.03 115.36 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -99.52 145.83 27.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.0 ttp -134.44 101.86 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -104.67 61.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.35 -94.95 1.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.99 5.05 23.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 0.0 110.905 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -107.71 123.82 49.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.528 ' CD2' HD12 ' A' ' 34' ' ' LEU . 36.3 m-70 -121.94 125.46 46.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.802 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -132.45 145.07 50.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.549 ' C ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -109.16 112.39 24.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.47 HG12 ' CG2' ' A' ' 29' ' ' VAL . 37.3 mt -97.42 151.41 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.402 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 45.6 mt -140.02 118.78 8.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.575 0.703 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -37.53 9.02 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.701 2.268 . . . . 0.0 112.324 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -133.12 101.53 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.08 106.87 17.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -102.14 170.4 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -57.78 -24.54 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -74.9 -30.84 61.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.98 -21.12 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.5 p -59.25 114.96 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.13 -159.79 26.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.431 ' OE2' ' C ' ' A' ' 91' ' ' PHE . 20.5 tp10 -111.9 136.65 50.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -108.52 150.01 28.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -143.73 130.21 20.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.9 t -100.4 74.12 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -58.57 138.95 56.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.4 t -153.15 168.87 24.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -66.19 73.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.79 -73.83 0.22 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.9 m -137.69 -179.63 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.95 158.96 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.26 168.16 9.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -137.61 122.51 18.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.433 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 51.5 m-85 -122.91 114.31 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.34 109.01 3.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.451 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 88.9 t -110.76 146.11 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.2 m -139.05 138.5 37.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.6 t -123.02 99.17 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -95.17 132.74 39.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -75.07 131.59 78.42 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.609 0.719 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.46 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.209 0 C-N-CA 122.712 2.274 . . . . 0.0 112.359 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.837 0.266 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.564 HG11 ' CE1' ' A' ' 39' ' ' PHE . 11.3 p -104.84 125.08 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.549 ' CE1' ' OG ' ' A' ' 35' ' ' SER . 19.4 p-80 -119.21 133.21 55.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.5 ' CD1' ' C ' ' A' ' 88' ' ' SER . 15.3 mt -72.15 133.9 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mt -93.21 -36.86 12.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.55 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 17.5 t -154.06 141.23 13.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.7 Cg_endo -69.73 151.79 91.66 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.341 -0.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -69.41 -33.32 72.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -146.34 176.33 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -50.32 143.77 8.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.448 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 28.3 m -120.91 174.19 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.4 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 13.7 t -139.83 131.95 28.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.4 ' HG ' ' C ' ' A' ' 19' ' ' SER . 4.1 mt -146.72 144.17 29.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 m -125.18 152.09 44.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -155.22 175.87 13.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.483 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 23.5 m -113.49 140.71 47.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 25' ' ' SER . 90.7 m -44.69 140.03 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.434 ' N ' HG23 ' A' ' 24' ' ' THR . 1.1 t 74.17 36.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 23' ' ' THR . 5.4 mm-40 -120.29 179.4 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -106.68 121.86 45.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 62.5 t -117.85 126.63 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.461 ' CG2' HG12 ' A' ' 68' ' ' ILE . 23.3 t -135.14 113.18 15.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.422 HD11 ' CZ3' ' A' ' 43' ' ' TRP . 78.0 mt -85.23 -175.17 5.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.6 m -160.36 136.94 8.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.3 t -146.69 146.19 30.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -121.87 156.26 33.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.52 HD13 ' CD2' ' A' ' 65' ' ' HIS . 72.8 mt -129.1 170.16 13.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.549 ' OG ' ' CE1' ' A' ' 10' ' ' HIS . 22.9 t -81.28 -33.96 32.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.564 ' HD2' ' CE2' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -120.27 148.64 43.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.467 ' CG2' ' HA3' ' A' ' 62' ' ' GLY . 0.5 OUTLIER -86.27 172.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 4.3 p-10 47.13 48.43 15.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 2.3 t80 -113.72 138.89 22.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.73 154.7 67.53 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.73 2.287 . . . . 0.0 112.316 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.25 149.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 43' ' ' TRP . 28.4 m -131.99 144.31 50.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.452 ' N ' HG23 ' A' ' 42' ' ' THR . 82.6 m95 -90.49 139.16 30.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.433 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 92.2 m-85 -132.58 140.19 48.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -123.2 126.28 46.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t0 55.99 30.53 16.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.4 23.22 68.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -129.27 148.36 51.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 33.3 ttpt -70.81 130.59 42.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.3 m -82.02 157.21 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -108.99 125.8 52.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -77.38 114.57 16.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -153.63 -175.95 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -58.53 -35.82 72.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.5 mt -80.89 -7.9 59.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -140.91 105.72 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.6 t -102.06 142.05 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.7 t -130.81 104.53 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -99.41 137.48 37.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.5 ttt -135.94 109.32 7.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.27 59.7 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.467 ' HA3' ' CG2' ' A' ' 37' ' ' VAL . . . 86.86 -91.14 1.71 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 ptt-85 -109.5 3.15 20.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -109.31 104.72 13.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.52 ' CD2' HD13 ' A' ' 34' ' ' LEU . 29.4 m-70 -106.34 129.08 54.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -142.46 139.6 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' ' 67' ' ' LEU . 3.3 tt -107.73 119.51 39.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.461 HG12 ' CG2' ' A' ' 29' ' ' VAL . 14.5 mt -100.61 150.85 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.401 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 36.9 mt -138.55 119.09 9.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.578 0.704 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -37.41 9.1 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.688 2.259 . . . . 0.0 112.344 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -134.92 92.45 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.23 101.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -93.17 163.98 13.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.7 t -55.72 -32.29 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -68.84 -35.96 77.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -63.21 -22.57 66.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.2 p -63.12 128.34 35.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.54 -175.36 38.12 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -84.65 128.45 34.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -109.41 126.94 53.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -121.58 130.52 53.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 27.2 t -107.56 83.61 1.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.428 ' HG2' ' N ' ' A' ' 84' ' ' THR . 15.2 ttt180 -85.18 146.54 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.428 ' N ' ' HG2' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -130.45 -77.28 0.53 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -115.75 -67.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.45 -4.17 5.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.2 m -130.5 165.07 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.123 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.5 ' C ' ' CD1' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -159.5 166.05 31.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.485 ' O ' ' CD1' ' A' ' 90' ' ' PHE . . . -106.97 -179.98 4.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 89' ' ' ALA . 33.0 m-85 -149.62 134.2 17.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.448 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 36.3 m-85 -142.17 122.09 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.94 113.45 4.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 61.9 t -113.42 133.8 58.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.937 0.398 . . . . 0.0 111.093 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.5 m -126.07 108.76 11.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.2 t -99.52 98.85 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -93.12 124.36 37.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -63.11 137.56 97.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.702 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.84 0.267 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 10' ' ' HIS . 14.8 p -131.97 143.82 39.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.471 ' N ' HG23 ' A' ' 9' ' ' VAL . 33.6 p-80 -135.05 132.19 37.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.6 mt -67.08 149.36 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mt -114.14 -35.24 5.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 3.2 m -152.66 132.37 7.13 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.819 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.69 -178.55 16.87 Favored 'Cis proline' 0 C--O 1.231 0.144 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.372 -0.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -96.9 -37.03 10.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.25 174.8 10.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -43.33 133.25 4.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.5 m -111.87 174.96 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -140.39 127.94 21.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.2 mt -141.24 151.56 43.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -137.92 138.77 39.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -141.15 170.8 15.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.463 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 59.4 m -106.1 152.95 22.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.8 m -52.14 150.07 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.2 p 56.11 51.69 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -130.47 177.56 7.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.4 ttt-85 -107.65 107.17 17.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.4 t -102.05 131.06 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.505 ' CG2' HG12 ' A' ' 68' ' ' ILE . 51.0 t -136.24 117.67 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.3 mt -86.96 -175.25 5.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.6 m -158.46 134.57 9.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.4 t -149.96 143.08 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -119.45 158.79 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.518 HD12 ' CD2' ' A' ' 65' ' ' HIS . 32.6 mt -138.32 171.46 14.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 t -109.56 23.86 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -148.73 111.08 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.447 ' CG2' ' HG3' ' A' ' 63' ' ' ARG . 54.9 t -70.06 146.54 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t70 60.91 39.84 16.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -106.92 124.24 36.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.671 0.748 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 168.51 21.38 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.222 . . . . 0.0 112.352 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -171.63 -178.48 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.442 HG21 ' CE1' ' A' ' 44' ' ' TYR . 33.2 m -146.52 140.74 26.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -98.08 123.82 42.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 49' ' ' LYS . 71.3 m-85 -115.25 143.76 44.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -131.0 129.24 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 47.64 40.65 12.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.38 35.51 87.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -149.58 116.57 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.509 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 29.3 ttpt -51.94 131.52 31.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.0 m -78.89 169.04 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -131.88 101.04 5.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -40.13 134.27 1.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -162.3 -176.21 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -56.21 -37.43 69.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.413 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 19.6 mt -90.07 -7.05 54.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -129.52 101.74 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 t -103.15 134.77 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.1 t -128.06 113.72 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -102.04 154.0 19.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.47 ' HG2' ' N ' ' A' ' 61' ' ' ASP . 2.7 ttt -131.85 148.97 52.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.47 ' N ' ' HG2' ' A' ' 60' ' ' MET . 1.3 m-20 -159.73 154.2 23.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -40.23 106.84 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.447 ' HG3' ' CG2' ' A' ' 37' ' ' VAL . 96.8 mtt180 53.92 42.19 31.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -155.58 121.28 5.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.518 ' CD2' HD12 ' A' ' 34' ' ' LEU . 81.2 m-70 -133.57 120.11 20.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 ptt-85 -134.54 153.0 52.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.7 tt -115.83 139.32 50.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.505 HG12 ' CG2' ' A' ' 29' ' ' VAL . 20.1 mt -120.65 153.1 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.449 ' N ' HG22 ' A' ' 68' ' ' ILE . 66.5 mt -140.44 118.18 8.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.571 0.701 . . . . 0.0 110.945 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -38.99 7.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -128.51 92.69 3.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.4 90.49 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -83.82 171.94 12.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.6 t -53.32 -38.75 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -63.87 -42.45 97.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.5 -30.22 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.2 p -57.94 135.87 56.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.3 172.84 23.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -78.31 128.28 33.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -107.4 126.94 53.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -119.09 148.59 42.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.5 t -123.09 80.54 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -76.88 108.13 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.88 -75.63 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -128.43 -49.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.23 -29.17 0.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.5 m -113.4 175.75 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.33 163.48 30.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.21 130.59 56.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -99.42 125.14 45.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -124.57 112.66 17.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.97 109.19 3.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.8 t -109.48 149.5 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 111.154 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.9 m -145.55 116.39 7.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.7 t -101.59 108.24 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -101.32 133.96 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -75.38 131.42 77.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.463 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.499 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.131 0 CA-C-O 120.857 0.274 . . . . 0.0 112.364 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 p -146.29 131.6 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.522 ' CE1' ' OG ' ' A' ' 35' ' ' SER . 26.0 p-80 -130.63 131.66 45.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -73.62 129.26 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mt -89.26 -27.5 20.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.508 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 19.1 t -162.49 132.19 3.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.678 0.751 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.78 -168.99 4.77 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.364 -0.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -114.97 -34.07 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -134.34 -70.95 0.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -159.87 142.2 13.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.6 m -116.57 176.11 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.5 t -142.24 135.28 28.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 mt -144.34 155.04 43.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.3 m -136.73 138.91 41.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CE1' HG13 ' A' ' 28' ' ' VAL . 62.4 m-85 -145.84 164.15 32.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.9 m -102.83 150.59 23.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.151 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.5 m -54.87 141.55 32.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.196 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 m 69.63 48.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -140.17 175.02 9.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -97.5 123.71 41.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.497 HG13 ' CE1' ' A' ' 22' ' ' PHE . 67.1 t -125.19 118.27 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -130.41 125.47 59.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.455 ' O ' ' NE ' ' A' ' 66' ' ' ARG . 65.8 mt -86.39 -170.72 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.404 ' OG1' ' NH2' ' A' ' 66' ' ' ARG . 1.2 m -156.48 130.55 8.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -143.51 133.65 24.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -110.74 154.6 23.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.9 mt -135.28 171.17 14.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.522 ' OG ' ' CE1' ' A' ' 10' ' ' HIS . 23.2 t -100.57 -3.26 30.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 8' ' ' PRO . 18.3 mtt180 -121.36 134.46 55.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.424 HG22 ' NE ' ' A' ' 63' ' ' ARG . 19.3 t -89.68 145.99 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t70 53.12 51.45 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.523 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.5 t80 -111.31 140.42 22.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.667 0.746 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.67 159.2 54.38 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.73 2.286 . . . . 0.0 112.367 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -171.26 160.22 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.035 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.525 HG21 ' CE1' ' A' ' 44' ' ' TYR . 82.1 m -137.04 124.21 21.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -78.17 151.31 33.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.525 ' CE1' HG21 ' A' ' 42' ' ' THR . 73.9 m-85 -142.13 157.77 44.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 48' ' ' GLN . 17.7 tttm -133.4 133.61 42.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 41.31 25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . 88.88 31.88 11.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 45' ' ' LYS . 6.5 pt20 -144.4 122.17 11.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.931 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -47.57 147.82 1.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.4 m -101.29 145.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -102.54 104.54 14.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.31 125.34 15.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.936 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 t -155.33 -176.46 5.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.82 -29.84 60.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.4 mt -90.9 -7.76 51.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tt -134.47 103.93 5.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 t -105.38 128.24 59.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.9 t -118.1 117.69 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -99.63 142.4 31.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.501 ' HG3' ' CE1' ' A' ' 65' ' ' HIS . 1.6 ttt -130.46 106.06 8.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.85 103.41 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 41.7 -120.04 1.94 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.424 ' NE ' HG22 ' A' ' 37' ' ' VAL . 75.3 mtt180 -87.98 40.73 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 110.853 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -143.33 124.06 14.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.501 ' CE1' ' HG3' ' A' ' 60' ' ' MET . 25.4 m-70 -138.84 117.11 11.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.455 ' NE ' ' O ' ' A' ' 30' ' ' LEU . 5.2 ptm180 -133.04 170.7 14.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 tt -126.2 116.38 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.6 mt -96.43 148.46 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.058 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.9 mt -136.51 119.24 11.9 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.64 0.733 . . . . 0.0 110.95 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -36.48 10.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.739 2.293 . . . . 0.0 112.336 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -132.28 111.59 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.79 97.32 9.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -90.83 154.29 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.4 t -55.28 -17.7 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -83.39 -22.91 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.66 -14.15 59.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.7 p -68.12 102.21 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.63 -157.51 12.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -111.6 129.45 56.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.886 0.375 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -106.34 148.93 27.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -141.08 132.71 27.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.1 t -102.54 79.39 1.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -61.54 142.35 57.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 86' ' ' GLY . 13.5 t -156.36 165.12 37.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.64 76.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 84' ' ' THR . . . 153.71 -72.69 0.26 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.1 m -138.14 -179.06 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.39 149.73 38.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.39 165.97 10.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -133.75 134.03 42.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.456 ' CE1' ' HD3' ' A' ' 14' ' ' PRO . 83.5 m-85 -133.37 137.56 45.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -109.39 111.8 3.27 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.425 ' CG2' HD22 ' A' ' 30' ' ' LEU . 62.9 t -116.36 130.74 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 111.17 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 54.8 m -127.01 119.67 27.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.9 t -103.7 104.2 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -98.66 114.26 26.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -58.3 137.64 84.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.868 0.279 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.421 ' CG1' ' HB3' ' A' ' 85' ' ' GLU . 7.7 p -160.38 126.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -119.89 160.26 23.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.8 mt -85.16 143.21 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.115 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 mt -110.13 -33.16 6.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.52 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 60.2 p -147.43 131.94 8.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.658 0.742 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.4 Cg_endo -69.8 -171.47 6.69 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.36 -0.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -103.9 -34.91 8.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' LYS . 33.5 m-20 -146.27 161.98 39.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' ASP . 28.9 tttt -34.58 129.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.421 HG21 ' CD2' ' A' ' 91' ' ' PHE . 16.5 m -107.83 170.98 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.0 p -145.79 113.43 6.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mt -125.7 149.81 48.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.0 m -130.14 144.69 51.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -146.77 169.23 19.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.458 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 41.9 m -105.02 153.54 21.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 92.8 m -54.68 147.84 13.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 p 61.01 47.99 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.811 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -132.46 169.19 16.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -98.28 116.92 31.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.9 t -114.24 128.6 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.473 ' CG2' HG12 ' A' ' 68' ' ' ILE . 24.2 t -135.19 119.26 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.7 mt -85.41 -175.07 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.9 m -156.87 137.22 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 49.6 t -152.63 146.34 25.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -122.21 156.61 33.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.441 HD11 ' CD2' ' A' ' 65' ' ' HIS . 64.5 mt -133.92 173.73 11.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -105.96 24.84 11.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.455 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 25.9 mtp85 -152.61 132.61 13.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.439 HG11 ' N ' ' A' ' 38' ' ' ASP . 92.9 t -82.59 150.35 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.174 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.439 ' N ' HG11 ' A' ' 37' ' ' VAL . 72.2 m-20 46.59 46.32 14.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.516 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 18.8 t80 -100.2 139.22 20.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.81 146.14 58.98 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.334 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.96 164.31 20.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.422 HG23 ' CE1' ' A' ' 44' ' ' TYR . 97.8 m -147.74 143.92 27.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.406 ' N ' HG22 ' A' ' 42' ' ' THR . 60.5 m95 -92.97 153.91 18.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.556 ' CD2' ' HA ' ' A' ' 49' ' ' LYS . 87.4 m-85 -144.94 134.88 23.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.96 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -116.14 127.7 55.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.4 t0 52.03 41.05 29.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.61 39.59 98.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' LYS . 31.5 mt-30 -149.02 119.67 7.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.556 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 22.7 tttp -37.28 143.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.2 m -87.84 146.96 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -96.22 100.86 12.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -58.76 114.59 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.8 p -161.16 176.61 11.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.52 -39.2 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.35 -22.9 63.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.5 tt -129.07 106.27 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.7 t -102.01 125.8 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.4 t -112.74 120.08 61.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.428 ' HA ' ' NZ ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -100.48 150.14 22.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.7 ttp -139.47 109.25 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.86 100.83 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 43.79 -113.3 0.72 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.463 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -97.5 45.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -150.94 118.64 6.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.441 ' CD2' HD11 ' A' ' 34' ' ' LEU . 27.9 m-70 -125.48 109.61 12.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -120.93 152.38 38.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.415 HD22 ' C ' ' A' ' 67' ' ' LEU . 4.8 tt -114.8 123.3 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.473 HG12 ' CG2' ' A' ' 29' ' ' VAL . 12.5 mt -102.8 153.17 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.443 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 37.8 mt -139.49 118.97 9.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.631 0.729 . . . . 0.0 110.97 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -37.36 9.35 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.355 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -128.33 112.24 14.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.7 79.09 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.5 ptmm? -82.06 147.55 29.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.3 t -44.73 -27.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -74.17 -37.44 63.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 73' ' ' LYS . 33.7 m-20 -52.45 -31.98 37.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.9 p -57.59 141.69 47.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.74 173.35 20.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -77.3 125.56 29.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -107.4 125.5 51.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -113.31 131.25 56.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.8 t -109.71 85.81 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -77.57 128.49 34.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.91 -74.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.477 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 3.9 tp10 -120.43 -60.1 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -131.51 -25.89 0.76 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.7 m -113.43 177.79 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.136 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.48 159.08 27.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.538 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -106.18 137.41 44.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.077 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -107.56 120.56 42.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 89' ' ' ALA . 72.1 m-85 -115.06 113.7 24.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.38 101.17 2.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 94' ' ' THR . 98.4 t -100.51 147.04 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 111.153 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.454 ' N ' HG12 ' A' ' 93' ' ' VAL . 93.3 m -140.5 114.07 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.4 t -102.12 116.72 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -110.04 137.56 47.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -77.81 134.97 64.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.709 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.458 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.238 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.799 0.25 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.4 p -145.77 146.31 19.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -147.9 128.04 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.513 ' CD1' ' C ' ' A' ' 88' ' ' SER . 20.3 mt -63.52 142.87 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 mt -107.63 -34.54 6.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.511 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 46.4 t -153.53 134.74 8.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.895 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.2 Cg_endo -69.76 167.71 70.08 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.34 -0.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -85.64 -34.8 21.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.17 174.34 12.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.5 tptt -45.57 130.96 8.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.455 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 16.2 m -109.55 178.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.9 p -143.32 119.14 10.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mt -137.08 149.86 47.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -134.89 146.83 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -142.86 175.62 9.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 55.8 m -111.28 142.47 43.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.4 m -46.24 147.22 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.9 m 61.95 50.18 4.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 23' ' ' THR . 28.7 mm-40 -136.92 167.49 21.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -94.1 120.24 34.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.3 t -114.77 117.31 55.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -129.57 107.64 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.7 mt -79.53 -175.92 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.1 m -151.88 139.05 19.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.0 t -146.07 146.08 30.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -124.56 153.12 42.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.6 mt -135.8 -178.64 5.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 m -109.25 -4.01 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -117.3 134.56 54.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.5 t -83.58 141.92 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t0 53.66 28.44 8.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 3.1 t80 -77.97 134.57 63.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.417 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.79 142.7 48.5 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.06 173.38 17.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.481 HG22 ' CZ ' ' A' ' 44' ' ' TYR . 77.7 m -154.49 137.69 15.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -84.51 156.93 21.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.491 ' CD2' ' HA ' ' A' ' 49' ' ' LYS . 93.2 m-85 -150.99 154.88 37.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' GLN . 19.2 tttt -130.48 144.32 51.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 40.18 24.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . 83.99 35.63 15.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 45' ' ' LYS . 7.5 pt20 -142.11 161.57 37.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.908 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.491 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 30.5 tttt -75.15 127.94 34.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.6 m -79.04 137.75 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -77.81 126.8 31.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -88.39 112.82 23.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 t -158.74 -174.96 5.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -55.02 -37.93 67.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.3 mt -74.15 -18.59 60.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 tt -132.19 103.8 6.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.4 t -102.06 129.67 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.9 t -119.71 111.24 32.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -99.67 145.63 27.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 ttt -136.7 113.23 10.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -127.92 120.82 28.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 39.61 -114.01 0.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.463 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.67 43.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.384 . . . . 0.0 110.857 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -146.79 116.79 7.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -116.08 138.94 50.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 ptt-85 -148.18 141.82 25.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 tt -106.03 122.07 45.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.2 mt -100.42 148.67 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 mt -137.05 119.53 11.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -36.18 11.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -140.92 105.73 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.01 97.07 5.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -85.58 160.95 19.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.7 t -55.28 -27.45 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -71.6 -38.49 70.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.12 -10.23 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -69.13 102.07 1.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.09 -171.06 39.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -92.68 137.04 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -114.32 139.42 49.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 89' ' ' ALA . 5.1 tt0 -129.53 144.13 51.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.4 t -117.89 82.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 84' ' ' THR . 19.1 ttt180 -83.96 146.55 27.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.517 ' HG1' ' N ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -131.83 -75.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.517 ' N ' ' HG1' ' A' ' 84' ' ' THR . 7.3 mt-10 -116.9 -66.48 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.59 -11.93 2.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.4 m -121.43 161.23 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.513 ' C ' ' CD1' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -153.09 167.89 27.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.843 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 81' ' ' GLU . . . -107.16 179.41 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.144 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -150.51 133.98 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.455 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 68.0 m-85 -140.93 130.7 24.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.01 90.95 1.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.4 t -93.87 133.47 34.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 111.148 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.1 m -136.99 124.21 21.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.3 t -105.58 129.3 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -124.83 113.96 18.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -60.63 133.82 91.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.623 0.725 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.44 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m 55.37 44.85 26.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 110.893 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -106.35 171.58 7.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.97 50.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 p -114.8 147.62 39.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.9 0.381 . . . . 0.0 110.841 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -88.97 -57.79 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.36 146.86 23.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -50.16 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.726 2.284 . . . . 0.0 112.344 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 p -154.87 128.28 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -126.88 139.45 53.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.6 mt -69.98 144.22 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 mt -106.65 -34.17 7.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.532 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 1.8 m -156.2 140.62 11.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.69 0.757 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.4 Cg_endo -69.8 176.04 34.29 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.352 -0.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -92.88 -33.84 14.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.89 178.58 7.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' HE3' ' CD ' ' A' ' 79' ' ' GLU . 14.7 tptm -53.73 131.51 39.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 17.9 m -111.99 168.89 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 t -139.41 130.81 26.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mt -137.59 150.58 47.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.9 m -137.99 131.71 31.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -132.12 171.41 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.467 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 55.7 m -110.73 142.79 42.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 84.4 m -47.29 147.69 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 p 65.45 40.22 4.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 23' ' ' THR . 44.6 mm-40 -133.52 174.13 10.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -99.44 127.91 45.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.409 HG22 ' CB ' ' A' ' 72' ' ' ALA . 93.3 t -122.29 114.2 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.45 117.44 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.2 mt -85.42 -174.91 5.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.2 m -153.32 140.28 19.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.5 t -157.48 138.83 13.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -116.56 154.97 29.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.9 mt -132.12 176.42 8.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.2 p -109.54 16.75 22.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 27.0 mtp85 -143.54 126.12 15.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.467 HG11 ' N ' ' A' ' 38' ' ' ASP . 88.3 t -82.12 144.31 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.467 ' N ' HG11 ' A' ' 37' ' ' VAL . 54.6 m-20 57.66 45.44 19.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.524 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.4 t80 -106.27 140.55 21.39 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.79 162.17 43.1 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.74 155.76 2.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.8 m -131.72 125.06 31.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.456 ' CG ' HD23 ' A' ' 67' ' ' LEU . 83.2 m95 -79.19 140.76 37.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -131.82 134.79 46.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -117.02 128.41 55.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 t70 49.86 31.97 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.38 28.82 59.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -145.39 129.59 17.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.917 0.389 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.427 ' C ' ' HD2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -42.59 149.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.6 m -92.36 138.92 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -88.69 89.73 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -54.12 130.05 36.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -171.26 -175.06 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -56.13 -29.54 60.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -85.76 -7.03 59.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.0 tp -134.56 108.98 8.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.454 ' CG1' ' HD3' ' A' ' 59' ' ' LYS . 6.3 t -104.18 125.64 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.7 t -113.84 108.66 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.454 ' HD3' ' CG1' ' A' ' 57' ' ' VAL . 4.9 mmmm -99.09 135.2 40.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.8 ttt -122.06 142.3 50.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -150.43 154.88 38.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -40.8 105.27 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.426 ' HG3' ' CG2' ' A' ' 37' ' ' VAL . 97.4 mtt180 56.02 41.81 29.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -158.6 117.45 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -130.02 134.91 47.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -145.17 151.64 38.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.487 HD12 ' N ' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -110.9 119.4 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.487 ' N ' HD12 ' A' ' 67' ' ' LEU . 9.3 mt -103.71 149.49 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.0 mt -140.73 119.33 8.27 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.599 0.714 . . . . 0.0 110.933 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -36.56 10.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.728 2.285 . . . . 0.0 112.344 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -133.92 97.05 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.409 ' CB ' HG22 ' A' ' 28' ' ' VAL . . . -74.01 91.92 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -83.26 155.72 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.4 t -47.29 -24.54 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -77.36 -37.31 52.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -58.16 -16.39 13.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.2 p -67.04 126.32 28.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 165.05 -168.34 39.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.473 ' OE2' ' N ' ' A' ' 91' ' ' PHE . 45.7 tp10 -99.51 130.63 45.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.371 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -106.31 150.77 25.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.461 ' CG ' ' HB3' ' A' ' 88' ' ' SER . 8.1 tt0 -150.56 129.85 12.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 40.6 t -93.66 73.36 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -50.12 138.99 15.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 12.8 t -154.9 171.06 20.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.31 70.66 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 164.82 -67.12 0.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.2 m -144.43 177.64 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.461 ' HB3' ' CG ' ' A' ' 81' ' ' GLU . 0.7 OUTLIER -137.2 152.94 50.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.8 163.66 12.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.079 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -130.31 120.23 24.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.473 ' N ' ' OE2' ' A' ' 79' ' ' GLU . 86.8 m-85 -125.61 113.83 17.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.13 123.94 6.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -125.68 140.51 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 111.11 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.2 m -141.22 114.24 8.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.0 t -97.3 100.67 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -97.66 123.67 41.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -72.59 137.34 80.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.467 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.9 Cg_endo -69.78 137.82 36.28 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.318 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 55.1 m -52.93 114.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -121.25 131.77 8.78 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 84.87 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.707 2.271 . . . . 0.0 112.31 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.3 t 37.45 42.78 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 98.5 p -100.43 133.01 45.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.542 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -78.37 -49.57 13.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.875 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 p -69.55 94.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.34 -65.49 1.16 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.5 p -129.9 138.13 50.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 m -94.81 118.8 32.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . 147.43 106.69 0.46 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HD2' ' HA2' ' A' ' 7' ' ' GLY . 54.0 Cg_endo -69.79 -48.34 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.401 HG13 ' CE2' ' A' ' 39' ' ' PHE . 6.9 p -160.77 120.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -112.52 135.03 53.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.2 mt -72.18 138.93 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 33' ' ' GLU . 2.1 mt -99.4 -33.2 10.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.538 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 43.4 t -157.03 142.77 12.74 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.733 . . . . 0.0 110.9 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.82 168.25 68.33 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.317 0.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -85.21 -25.36 27.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -155.8 -177.06 6.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -55.68 131.89 47.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -110.49 167.93 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.7 p -135.69 126.13 26.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mt -134.38 158.9 42.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.1 m -141.5 145.63 35.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -151.31 173.38 14.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.491 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 85.6 m -111.79 144.61 40.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.143 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 25' ' ' SER . 90.0 m -45.13 142.62 1.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.401 ' N ' HG23 ' A' ' 24' ' ' THR . 75.0 m 63.22 48.69 3.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 23' ' ' THR . 33.0 mm-40 -127.59 177.46 6.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 ttt85 -106.44 118.11 35.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.4 t -115.33 136.24 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.47 ' CG2' HG12 ' A' ' 68' ' ' ILE . 34.5 t -141.06 111.99 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.0 mt -85.67 -175.63 5.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.6 m -156.63 143.55 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.2 t -156.08 139.99 16.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.464 ' HG2' ' CD1' ' A' ' 12' ' ' LEU . 20.4 tt0 -116.22 151.02 36.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.1 mt -128.53 172.76 10.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.7 t -95.87 -10.14 29.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -121.69 138.01 54.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.3 t -84.3 141.15 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 54.75 46.34 24.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.54 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 3.2 t80 -96.73 140.57 22.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.707 0.765 . . . . 0.0 110.827 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.54 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.8 147.76 63.33 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.642 2.228 . . . . 0.0 112.328 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.52 -177.6 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.0 m -155.99 142.67 18.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -96.64 135.54 38.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.482 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 87.9 m-85 -128.7 145.67 51.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -128.81 128.22 43.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 t0 53.52 26.47 5.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.47 28.3 55.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.462 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -139.34 126.6 21.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.482 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 40.7 tttm -47.37 128.29 11.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.4 m -74.79 146.17 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.173 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -100.7 108.97 20.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -67.66 129.03 38.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.0 p -160.96 -175.6 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -58.42 -18.01 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.9 mt -97.05 -9.03 28.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 tp -129.92 109.82 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 t -106.2 126.14 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.0 t -118.99 121.6 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -105.72 134.54 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.5 ttt -126.35 107.17 10.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.07 111.01 12.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 47.82 -131.18 17.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -91.13 41.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.923 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -139.58 114.63 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -117.92 122.82 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -137.68 148.44 45.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 tt -113.6 135.17 54.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.47 HG12 ' CG2' ' A' ' 29' ' ' VAL . 15.7 mt -117.27 153.88 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.435 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 72.9 mt -140.73 118.57 8.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.531 0.681 . . . . 0.0 110.955 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -38.98 6.92 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -134.44 88.15 2.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.19 106.37 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -92.09 -176.35 4.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.6 t -75.55 -32.41 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -72.96 -20.13 61.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.36 -13.01 59.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.4 p -69.36 119.93 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.59 -179.34 43.39 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.32 132.29 34.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -106.39 147.68 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -140.72 132.29 27.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 47.6 t -105.21 78.25 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -59.24 144.01 47.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 87' ' ' VAL . 13.7 t -153.09 175.72 12.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -74.67 61.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.58 -68.33 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 84' ' ' THR . 18.3 m -139.94 -178.52 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.88 160.18 40.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.16 175.62 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.083 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -147.77 120.25 8.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.45 ' CE1' ' HG3' ' A' ' 14' ' ' PRO . 75.6 m-85 -127.76 124.99 39.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.33 126.14 8.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.5 t -127.42 133.99 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 111.173 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 54.3 m -132.83 104.9 6.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.8 t -90.97 97.01 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -91.53 123.61 35.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -65.27 141.18 98.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.568 0.699 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.455 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 54.1 Cg_endo -69.77 164.79 33.23 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.688 2.259 . . . . 0.0 112.354 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 98' ' ' PRO . 74.3 m 34.61 50.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.803 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -68.1 145.83 45.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -48.53 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.34 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.4 m -67.44 171.0 6.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m -153.82 106.94 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -119.06 122.49 42.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -97.55 156.27 16.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.9 -60.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 p -131.32 83.98 2.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 m -48.32 -46.11 36.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.63 157.84 2.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.434 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.41 ' CG1' ' HB2' ' A' ' 85' ' ' GLU . 14.8 p -172.16 124.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -130.07 128.29 41.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.2 mt -48.07 147.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 mt -114.65 -34.83 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 66.1 m -153.07 127.65 4.65 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.654 0.74 . . . . 0.0 110.844 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.7 Cg_endo -69.75 -175.72 11.39 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.338 -0.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -97.42 -37.26 10.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -142.68 172.79 12.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.4 131.92 13.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.42 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 31.7 m -112.39 168.94 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -136.56 131.94 34.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mt -142.87 169.05 18.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m -143.15 144.34 32.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -139.25 173.18 11.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.482 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 59.5 m -112.98 143.9 43.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.0 m -46.88 146.13 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.4 p 62.07 48.16 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 23' ' ' THR . 7.9 mm-40 -133.21 176.28 8.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -102.55 116.7 33.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 82.7 t -110.69 115.14 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 p -130.87 120.44 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.18 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.6 mt -92.65 -174.99 3.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.5 m -155.21 135.67 13.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.7 t -142.62 144.68 32.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -119.8 150.26 40.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.426 HD12 ' CD2' ' A' ' 65' ' ' HIS . 40.3 mt -131.25 171.95 12.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.1 t -110.13 31.18 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -160.44 115.33 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.464 HG13 ' CA ' ' A' ' 62' ' ' GLY . 94.3 t -72.3 143.57 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.445 ' N ' HG12 ' A' ' 37' ' ' VAL . 0.6 OUTLIER 62.43 42.42 8.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.527 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 9.7 t80 -103.75 139.88 20.53 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.64 0.733 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.79 151.78 68.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 2.24 . . . . 0.0 112.327 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.71 170.3 17.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.4 m -151.3 142.33 23.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -95.38 134.23 38.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -129.04 130.56 46.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -117.91 127.42 53.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.5 t0 51.02 38.25 20.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.72 36.63 91.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -148.69 122.9 9.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -45.48 144.8 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 m -95.2 149.72 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 mp0 -100.27 135.48 41.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -85.79 118.36 25.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.2 p -160.08 175.26 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -51.21 -33.32 27.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.8 mt -77.83 -21.1 51.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tt -127.05 107.54 10.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.7 t -102.0 131.97 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.1 t -126.13 119.92 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -100.85 156.13 17.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.7 ttp -143.49 115.07 8.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -132.09 105.45 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.464 ' CA ' HG13 ' A' ' 37' ' ' VAL . . . 43.39 -101.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -113.71 38.48 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -138.75 109.41 6.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.426 ' CD2' HD12 ' A' ' 34' ' ' LEU . 40.8 m-70 -113.42 138.05 50.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -150.91 147.94 27.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.405 HD22 ' C ' ' A' ' 67' ' ' LEU . 4.6 tt -111.29 122.08 46.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.5 mt -103.4 147.82 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.0 mt -134.81 119.69 13.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.728 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -36.87 10.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.7 2.267 . . . . 0.0 112.348 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -132.92 115.54 15.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.16 98.84 11.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.058 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -91.76 149.05 21.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.0 t -48.42 -32.85 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -65.76 -39.24 90.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -62.15 -8.84 6.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.8 m -66.66 99.19 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.95 -177.28 42.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -85.97 136.1 33.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.895 0.379 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -109.33 124.34 50.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -110.78 144.42 39.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.8 t -127.13 96.21 4.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -85.67 145.49 27.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.32 -75.49 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.454 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 16.1 tm-20 -116.54 -68.87 0.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.99 -20.51 2.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.6 m -116.15 176.47 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 0.0 111.1 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -157.56 153.0 26.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.69 136.56 41.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -108.51 124.27 50.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.42 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 42.9 m-85 -120.27 115.1 22.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.91 118.08 5.56 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.2 t -121.84 124.73 72.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 53.2 m -135.99 112.95 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 73.1 t -96.64 116.76 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -109.38 127.37 54.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -68.86 134.55 90.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.435 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.9 Cg_endo -69.75 159.93 51.57 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.7 t -88.86 98.01 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.828 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 179.98 -158.23 21.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 148.3 64.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 p -125.18 133.52 52.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 73.1 p -70.85 139.35 50.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p -51.89 152.8 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.834 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 p -168.04 142.64 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.83 166.24 15.01 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -39.17 119.55 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.834 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -111.75 138.06 48.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.835 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.64 84.85 0.32 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.47 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.86 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.619 2.213 . . . . 0.0 112.346 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.463 HG23 ' CG ' ' A' ' 36' ' ' ARG . 9.5 p -155.15 127.28 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.471 ' CD2' ' HB2' ' A' ' 35' ' ' SER . 2.2 p-80 -124.16 161.76 25.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.0 mt -88.71 139.77 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mt -102.71 -38.65 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.517 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 2.5 t -148.21 133.18 9.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.66 0.743 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.2 Cg_endo -69.75 -168.35 4.34 Favored 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.743 -1.774 . . . . 0.0 112.322 -0.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -111.93 -22.03 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -156.95 179.09 9.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -49.0 133.56 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.455 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 34.6 m -115.54 -175.33 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t -151.94 138.87 19.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -147.67 156.36 42.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 25.4 m -139.16 147.62 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 21' ' ' THR . 46.6 m-85 -151.21 173.1 14.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.495 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 30.1 m -111.13 140.02 46.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.45 ' HB ' ' CD ' ' A' ' 98' ' ' PRO . 96.3 m -44.69 146.98 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m 62.85 44.47 6.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 23' ' ' THR . 16.0 mm-40 -128.24 179.24 5.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -106.31 113.82 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t -109.24 133.25 55.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.472 ' CG2' HG12 ' A' ' 68' ' ' ILE . 24.1 t -140.64 112.05 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.6 mt -78.79 -175.81 4.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.0 m -157.2 145.75 19.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.9 t -162.31 155.33 20.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -130.92 153.99 48.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.8 mt -127.37 172.37 10.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.471 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 3.4 t -93.0 -17.69 23.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' CG ' HG23 ' A' ' 9' ' ' VAL . 51.5 mmt-85 -123.64 139.42 54.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.439 ' CG2' ' HA3' ' A' ' 62' ' ' GLY . 0.4 OUTLIER -85.24 175.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' VAL . 36.1 t70 35.54 38.44 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.557 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 5.2 t80 -101.99 140.37 21.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.85 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.557 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.76 161.2 46.86 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.307 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.98 156.01 3.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.9 m -132.25 134.16 44.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -89.09 133.45 34.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -123.43 145.8 48.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.005 0.431 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -130.37 127.33 39.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.934 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 46.08 32.31 1.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.56 31.78 39.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -144.43 120.05 10.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -53.71 137.53 37.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.3 m -90.11 147.6 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -110.38 114.05 27.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -50.14 129.64 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 p -157.2 -176.33 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.26 -33.25 74.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 38.5 mt -89.37 -1.6 58.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 tt -139.57 106.14 5.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 t -104.27 130.44 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.8 t -121.35 111.87 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -99.28 158.21 15.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.9 ttp -147.58 115.17 6.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -112.02 45.65 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.439 ' HA3' ' CG2' ' A' ' 37' ' ' VAL . . . 80.64 -88.68 1.32 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.426 ' HG2' ' C ' ' A' ' 36' ' ' ARG . 52.3 mtm180 -99.69 25.09 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.852 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -141.84 124.1 15.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -126.26 113.05 16.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -129.76 141.83 50.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 67' ' ' LEU . 2.6 tt -107.4 121.99 45.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' A' ' 29' ' ' VAL . 12.7 mt -99.41 153.7 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 30.3 mt -140.3 119.32 8.6 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.622 0.725 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -38.18 8.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -134.42 100.94 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.13 103.48 13.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -99.17 169.37 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.3 t -52.8 -32.34 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -69.36 -38.91 78.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -24.68 62.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.2 p -60.25 116.04 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 179.19 -177.16 48.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -97.74 128.47 44.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -107.16 155.95 19.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.451 ' OE1' ' C ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -151.0 140.0 21.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 39.3 t -106.23 83.56 1.91 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.405 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 13.4 ttt180 -64.68 134.07 53.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.3 t -145.41 173.17 12.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -72.21 68.54 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.06 -66.59 0.21 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.447 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.4 m -142.63 -177.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 111.086 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.78 148.8 37.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.55 166.16 10.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -136.26 123.22 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.455 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 83.7 m-85 -124.71 124.07 41.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.42 115.87 5.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.532 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.1 t -114.54 149.68 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.5 m -145.09 115.15 7.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.1 t -102.54 97.96 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -83.73 125.42 31.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -67.4 130.67 93.35 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.569 0.699 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.45 ' CD ' ' HB ' ' A' ' 24' ' ' THR . 53.7 Cg_endo -69.79 117.74 5.27 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.697 2.264 . . . . 0.0 112.372 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -151.27 106.33 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 147.81 147.68 4.59 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.523 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -3.34 11.83 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 53.3 p -46.68 108.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.3 p -46.96 132.83 11.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -128.29 -59.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.839 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -65.63 91.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.89 119.84 9.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 p -166.11 164.65 18.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.37 . . . . 0.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -151.09 153.53 35.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.61 148.73 22.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.545 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.421 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.76 -48.39 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.415 HG11 ' CE2' ' A' ' 39' ' ' PHE . 14.7 p -165.47 130.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -126.53 163.84 22.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.8 mt -90.42 138.76 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mt -104.78 -33.91 8.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 40.9 t -153.23 130.52 5.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.702 0.763 . . . . 0.0 110.823 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.9 Cg_endo -69.72 179.71 21.46 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.345 -0.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -100.14 -34.93 9.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -142.68 174.21 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 18.5 tptm -44.14 146.44 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.436 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 18.1 m -125.4 -179.92 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.5 p -150.97 119.07 6.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mt -130.78 156.43 44.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.435 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 19.7 m -140.07 155.04 47.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.435 ' CG ' ' O ' ' A' ' 21' ' ' THR . 78.0 m-85 -158.08 174.37 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.441 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 33.5 m -110.08 143.52 40.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.9 m -47.15 146.27 1.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 m 63.46 46.43 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 23' ' ' THR . 5.8 mm-40 -130.68 178.43 6.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 -106.1 116.75 32.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.5 t -114.44 128.52 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.473 ' CG2' HG12 ' A' ' 68' ' ' ILE . 28.3 t -133.49 124.4 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.9 mt -94.08 -177.1 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.1 m -158.3 142.25 15.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.8 t -150.54 158.03 43.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -136.69 148.05 47.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.2 mt -126.29 172.57 9.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.7 p -87.45 -25.11 23.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.421 ' CZ ' ' O ' ' A' ' 8' ' ' PRO . 18.0 mtm180 -114.65 145.37 42.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.44 ' CG2' ' HA3' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -93.28 157.86 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t70 51.03 46.02 26.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.512 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 11.9 t80 -108.14 139.58 20.84 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.733 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.78 152.37 69.2 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.16 172.3 16.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.462 HG23 ' CZ ' ' A' ' 44' ' ' TYR . 26.5 m -142.54 129.48 20.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -88.67 125.79 35.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.462 ' CZ ' HG23 ' A' ' 42' ' ' THR . 78.2 m-85 -119.06 139.23 52.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.932 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -126.89 132.05 51.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 t0 50.65 34.71 10.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.849 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.75 37.27 92.25 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -153.34 127.21 8.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -43.36 139.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.5 m -84.73 155.72 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -105.69 107.09 17.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.03 117.54 6.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.7 t -159.11 -177.05 6.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -58.64 -33.72 70.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.4 mt -79.11 -14.59 59.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tt -131.62 107.38 8.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.2 t -103.28 127.97 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.1 t -116.13 102.91 14.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -100.45 147.57 25.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -143.7 132.89 23.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -126.11 81.4 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.44 ' HA3' ' CG2' ' A' ' 37' ' ' VAL . . . 63.79 -84.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.438 ' N ' HG23 ' A' ' 37' ' ' VAL . 0.8 OUTLIER -120.02 34.08 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.877 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -139.84 112.72 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -111.65 126.39 54.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -137.04 144.68 43.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.462 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -110.82 116.85 31.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.473 HG12 ' CG2' ' A' ' 29' ' ' VAL . 50.7 mt -101.17 150.42 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.7 mt -138.04 118.69 10.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.722 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -38.4 7.99 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.384 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -135.06 93.81 3.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.93 101.06 5.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -95.56 166.86 11.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.4 t -54.74 -23.99 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -77.71 -26.85 50.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.77 -23.91 62.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 p -57.52 103.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.63 -179.79 41.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -98.84 133.13 43.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -107.35 153.8 22.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -148.79 129.37 14.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.9 t -98.67 82.99 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -64.23 131.64 47.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.2 t -142.85 175.01 10.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -72.12 72.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 158.05 -67.38 0.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.6 m -141.46 -177.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.22 153.22 43.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.43 172.44 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -142.14 124.6 15.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.436 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 92.7 m-85 -127.77 115.22 18.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.74 114.92 4.63 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.96 131.35 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.0 m -126.9 121.85 32.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.6 t -104.67 99.69 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -87.1 125.54 34.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -68.24 133.0 91.5 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.84 61.34 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.9 m -113.3 -44.95 3.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -56.81 143.53 39.7 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 1.08 4.74 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.645 2.23 . . . . 0.0 112.374 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m 63.72 40.96 7.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 m -81.75 139.8 34.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.997 . . . . . . . . 0 0 . 1 . 006 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 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.5 p -106.19 147.56 28.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -63.62 163.35 11.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.35 -174.45 21.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t 64.63 42.77 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.389 . . . . 0.0 110.875 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m -84.15 176.5 8.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.814 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.17 128.54 3.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -50.2 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 85' ' ' GLU . 4.6 p -149.7 128.45 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -128.95 134.51 48.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.404 ' CG1' HD21 ' A' ' 34' ' ' LEU . 29.1 mt -67.7 144.86 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt -110.8 -31.59 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.52 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 14.9 m -154.5 135.65 8.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.664 0.745 . . . . 0.0 110.819 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.8 Cg_endo -69.74 177.26 29.42 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.336 -0.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -92.53 -35.29 13.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -147.61 177.8 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -45.34 130.47 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.3 m -110.86 -178.12 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 t -152.57 134.05 14.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -143.2 158.4 43.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.7 m -138.63 152.83 48.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -155.55 171.01 20.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.468 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 35.1 m -107.11 149.68 27.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.8 m -49.53 144.31 5.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 m 62.66 47.36 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 23' ' ' THR . 6.2 mm-40 -126.8 174.24 8.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.0 ttt85 -103.51 121.81 43.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.2 t -116.82 133.36 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.462 ' CG2' HG12 ' A' ' 68' ' ' ILE . 24.7 t -140.44 109.81 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -78.14 -175.08 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.547 ' O ' ' CZ ' ' A' ' 91' ' ' PHE . 28.7 m -160.15 145.81 15.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.7 t -155.02 152.17 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -127.96 150.9 49.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.404 HD21 ' CG1' ' A' ' 11' ' ' ILE . 27.2 mt -134.07 169.82 16.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 t -104.14 34.84 2.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -161.21 118.94 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.3 t -73.72 146.23 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 t70 55.34 49.59 16.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.524 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 3.4 t80 -108.12 140.61 21.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.662 0.744 . . . . 0.0 110.89 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.0 Cg_endo -69.77 156.04 64.33 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.69 149.94 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.5 m -127.97 130.54 48.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.4 ' CD1' HG22 ' A' ' 58' ' ' VAL . 68.5 m95 -84.1 134.2 34.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -125.9 143.82 50.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.988 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -132.21 127.86 36.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 t0 51.2 36.27 15.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.59 35.9 75.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.434 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -149.06 118.53 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -46.3 139.25 4.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 m -91.3 143.68 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -104.76 104.71 14.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' CD ' HG13 ' A' ' 58' ' ' VAL . 25.5 mt-10 -51.9 112.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.6 p -140.81 -175.39 4.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.2 -32.41 71.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.3 mt -88.04 -13.33 41.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 tt -132.87 99.64 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' ILE . 59.6 t -101.89 151.49 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.434 ' O ' ' CG1' ' A' ' 58' ' ' VAL . 3.4 p -154.61 125.29 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -104.44 166.25 10.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.548 ' HG3' ' CE1' ' A' ' 65' ' ' HIS . 2.9 ttp -145.08 105.11 4.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.8 t70 -107.1 102.15 11.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 47.98 -93.21 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 61' ' ' ASP . 14.5 ptt180 -117.54 37.46 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -139.4 116.65 11.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.548 ' CE1' ' HG3' ' A' ' 60' ' ' MET . 33.9 m-70 -112.25 139.13 48.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -151.54 141.69 22.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 tt -109.96 121.73 45.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.509 ' CG2' ' N ' ' A' ' 69' ' ' LEU . 26.3 mt -98.23 157.2 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.509 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 43.7 mt -143.98 119.15 6.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -39.84 5.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.656 2.237 . . . . 0.0 112.333 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -134.47 103.17 5.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.83 96.84 5.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.88 153.5 21.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.2 t -47.76 -29.54 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -76.9 -32.1 57.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -61.85 -21.96 65.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.0 p -64.37 125.96 26.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.9 -152.91 13.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -116.48 130.8 56.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -106.36 154.13 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -148.03 130.27 15.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 11.8 t -99.38 74.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -58.17 134.34 56.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.9 t -150.82 166.06 31.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.485 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -66.42 76.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.27 -72.03 0.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.8 m -137.59 175.9 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.4 147.64 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.16 179.75 4.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -151.13 127.65 10.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.547 ' CZ ' ' O ' ' A' ' 31' ' ' THR . 81.7 m-85 -128.1 119.03 24.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.54 120.36 5.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.4 t -120.85 143.87 31.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 0.0 111.111 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.2 m -140.87 112.69 7.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.5 t -98.48 112.75 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -107.14 126.16 52.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -66.41 138.91 95.96 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.594 0.711 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.468 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.9 Cg_endo -69.77 142.76 48.74 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.357 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.2 m -81.55 113.77 19.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 143.85 141.09 3.73 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 165.14 31.88 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.701 2.267 . . . . 0.0 112.377 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.3 m -60.4 100.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 84.2 p 41.45 39.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -65.86 156.74 32.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -51.61 -48.25 63.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.69 -85.89 1.56 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 p -43.21 129.48 4.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 110.85 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -110.57 95.83 5.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.19 176.45 1.34 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.27 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.704 2.269 . . . . 0.0 112.378 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.3 p -164.68 134.59 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -135.51 130.94 35.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -52.91 150.25 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 mt -114.69 -35.28 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.512 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 1.6 t -149.24 132.73 8.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.741 . . . . 0.0 110.831 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.81 178.89 24.01 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.345 -0.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -96.59 -38.06 10.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' LYS . 2.0 p30 -140.54 164.07 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ASP . 29.5 tttt -35.43 130.01 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 m -109.66 155.8 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -125.63 126.99 45.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.7 mt -139.87 155.63 47.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -140.55 134.75 31.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -134.01 165.39 25.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.449 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 89.1 m -103.57 150.8 23.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.168 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.471 HG21 ' N ' ' A' ' 25' ' ' SER . 61.8 m -52.16 144.6 12.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.471 ' N ' HG21 ' A' ' 24' ' ' THR . 66.8 m 64.07 49.88 2.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -135.71 178.43 7.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -103.24 116.24 32.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.9 t -110.52 112.58 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 p -127.87 122.61 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.7 mt -92.37 -174.79 3.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.6 m -153.57 135.54 14.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.0 t -146.69 141.59 26.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -123.35 153.25 40.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.403 HD11 ' CD2' ' A' ' 65' ' ' HIS . 55.2 mt -129.91 171.62 12.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.3 p -89.4 -28.86 19.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -101.25 145.74 28.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.3 t -96.11 141.87 14.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 62.31 36.26 14.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.507 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 16.2 t80 -94.31 139.5 22.47 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.642 0.735 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.2 Cg_endo -69.78 149.52 66.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.622 2.215 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.42 174.7 13.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.5 m -149.75 144.6 26.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -97.51 125.59 42.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -122.86 136.86 55.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -123.28 132.7 54.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t70 46.79 37.97 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.39 40.15 97.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -150.73 124.16 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -47.38 140.76 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.4 m -88.94 152.46 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -107.63 98.52 8.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 mp0 -51.49 124.26 11.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 56' ' ' LEU . 24.0 p -162.18 174.43 12.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -49.28 -38.19 26.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.3 mt -74.52 -21.8 59.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 53' ' ' SER . 5.9 tt -129.42 106.93 9.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.5 t -101.73 130.96 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.9 t -121.86 108.93 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -99.15 146.82 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.507 ' HG3' ' CE1' ' A' ' 65' ' ' HIS . 2.4 ttt -124.45 147.65 48.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.466 ' N ' ' HG2' ' A' ' 60' ' ' MET . 4.8 m-20 -161.07 152.42 19.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 63' ' ' ARG . . . -35.14 121.64 0.49 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 62' ' ' GLY . 2.6 ptp180 33.94 42.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.863 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -156.27 115.4 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.507 ' CE1' ' HG3' ' A' ' 60' ' ' MET . 50.8 m-70 -128.99 141.37 51.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -154.2 152.36 30.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.404 HD21 ' C ' ' A' ' 67' ' ' LEU . 3.5 tt -113.66 126.2 55.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 69' ' ' LEU . 14.3 mt -103.61 152.3 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 18.2 mt -139.99 119.42 8.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.719 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -39.4 6.52 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.632 2.221 . . . . 0.0 112.334 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -131.51 120.48 23.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.44 99.0 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' ASP . 12.2 pttm -94.82 146.35 24.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.933 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.9 t -42.21 -32.84 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -68.65 -38.23 80.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' LYS . 21.0 m-20 -52.56 -31.93 38.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.2 p -55.19 119.76 6.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.18 175.63 39.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -80.46 126.75 31.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -106.42 131.65 53.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.559 ' HG3' ' CE1' ' A' ' 90' ' ' PHE . 5.6 tt0 -121.36 138.34 54.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 34.9 t -119.27 82.36 1.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -74.34 144.41 44.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.41 ' HG1' ' N ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -128.43 -75.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.41 ' N ' ' HG1' ' A' ' 84' ' ' THR . 0.9 OUTLIER -117.12 -65.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.21 -17.64 1.77 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.27 174.01 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.82 150.11 17.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.836 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.91 136.32 42.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 81' ' ' GLU . 3.4 m-85 -102.08 135.83 42.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -126.95 113.78 16.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -84.07 110.16 3.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.438 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 84.1 t -112.51 145.09 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.4 m -142.28 112.31 6.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.9 t -95.28 111.58 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -104.83 128.79 53.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -73.56 134.91 78.81 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.635 0.731 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.449 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.5 Cg_endo -69.77 171.47 14.42 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 m -89.41 92.31 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -177.25 161.75 29.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -41.03 4.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.7 m 46.87 42.26 11.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.2 m -132.21 128.83 38.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -83.68 167.0 17.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -165.86 149.47 7.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.91 122.12 11.34 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.6 p -128.62 42.78 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 p -92.24 -51.49 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.35 151.75 18.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -47.75 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.655 2.236 . . . . 0.0 112.323 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.513 HG11 ' CE2' ' A' ' 39' ' ' PHE . 6.3 p -158.73 138.56 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -136.82 147.32 46.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.2 mt -73.93 145.81 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.429 HD13 ' CD ' ' A' ' 33' ' ' GLU . 3.4 mt -109.36 -33.48 6.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.528 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 47.6 t -155.47 136.68 9.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.75 -178.11 16.0 Favored 'Cis proline' 0 C--O 1.231 0.15 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.322 -0.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -97.31 -34.72 10.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -145.04 167.43 22.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -40.22 131.66 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 m -108.54 -179.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 t -144.68 132.03 20.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mt -144.44 158.14 43.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.6 m -143.1 140.48 30.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -141.73 175.16 9.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.2 m -108.11 145.13 34.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 25' ' ' SER . 58.9 m -51.4 140.55 17.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.451 ' N ' HG22 ' A' ' 24' ' ' THR . 10.4 m 69.32 48.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -133.07 163.62 28.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -94.75 114.74 26.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.3 t -108.17 143.65 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.502 ' CG2' HG12 ' A' ' 68' ' ' ILE . 59.8 t -145.52 105.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.5 mt -75.83 -174.97 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 m -161.34 136.37 7.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.4 t -151.98 146.98 26.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' CD ' HD13 ' A' ' 12' ' ' LEU . 50.9 tt0 -118.7 153.04 35.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.0 mt -135.13 175.31 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 t -107.48 32.14 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 26.0 mtp85 -159.32 121.53 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.429 HG23 ' NE ' ' A' ' 63' ' ' ARG . 25.5 t -75.72 144.2 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 50.16 51.56 16.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.52 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 10.5 t80 -104.21 139.66 20.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.79 142.73 48.59 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.657 2.238 . . . . 0.0 112.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.94 170.54 21.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.472 HG22 ' CZ ' ' A' ' 44' ' ' TYR . 94.6 m -146.72 113.17 5.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -70.51 135.65 48.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.472 ' CZ ' HG22 ' A' ' 42' ' ' THR . 63.8 m-85 -126.11 135.61 51.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -124.48 128.74 49.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 t70 49.48 41.31 20.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.03 39.37 97.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.461 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -148.45 130.62 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 39.4 tttt -56.25 141.85 39.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.4 m -93.67 154.61 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -107.28 126.36 52.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -75.91 111.79 11.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 t -157.88 177.69 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.799 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -49.08 -39.64 28.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.7 mt -71.02 -23.39 62.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.0 tt -131.15 105.48 7.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.1 t -102.49 137.88 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.0 t -129.0 123.89 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -119.12 162.52 18.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.49 ' SD ' ' CE1' ' A' ' 65' ' ' HIS . 31.0 ttp -141.16 113.87 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.96 77.2 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 39.28 93.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.429 ' NE ' HG23 ' A' ' 37' ' ' VAL . 64.3 mtt180 65.32 25.37 12.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.901 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -133.79 105.79 6.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.49 ' CE1' ' SD ' ' A' ' 60' ' ' MET . 82.6 m-70 -109.57 116.26 31.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -132.44 144.2 50.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.436 HD12 ' CD2' ' A' ' 80' ' ' PHE . 3.2 tt -111.03 122.37 47.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.502 HG12 ' CG2' ' A' ' 29' ' ' VAL . 17.4 mt -102.16 152.51 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.424 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 29.2 mt -139.08 118.86 9.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -37.59 8.81 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.664 2.243 . . . . 0.0 112.304 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -134.02 99.72 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.55 98.78 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -91.99 -179.07 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.64 -27.68 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -66.15 -43.13 87.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.423 ' CG ' HD12 ' A' ' 69' ' ' LEU . 17.2 t70 -60.37 -11.99 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -69.08 90.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -161.46 -144.79 4.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -126.55 133.95 50.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.436 ' CD2' HD12 ' A' ' 67' ' ' LEU . 9.3 m-85 -106.48 163.89 12.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -157.15 131.31 8.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 52.5 t -97.09 77.52 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -59.07 124.41 19.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.442 ' CG2' ' O ' ' A' ' 87' ' ' VAL . 14.5 t -138.36 165.73 26.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.06 80.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.96 -69.16 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.442 ' O ' ' CG2' ' A' ' 84' ' ' THR . 27.7 m -135.7 -177.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.09 154.09 37.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.78 171.66 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -141.77 120.69 12.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -119.03 112.26 19.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.32 95.79 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 97.1 t -97.96 143.5 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.398 . . . . 0.0 111.09 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.1 m -147.24 112.46 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.212 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.7 t -95.71 108.58 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -98.01 122.91 41.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -61.61 139.68 95.16 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.573 0.701 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -169.72 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.232 . . . . 0.0 112.351 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.5 m -157.7 169.79 23.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 65.82 146.32 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.5 Cg_endo -69.76 1.52 4.36 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 101' ' ' PRO . 34.4 t -35.31 -60.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.8 m -89.38 115.19 26.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -43.73 152.1 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.854 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 m -122.0 137.97 54.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.79 59.54 4.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t -90.05 158.29 17.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.904 0.383 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -76.97 96.01 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.14 161.86 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.45 0.73 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.411 ' CG1' ' O ' ' A' ' 85' ' ' GLU . 6.3 p -148.21 129.59 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -127.6 133.78 49.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.6 mt -69.4 144.44 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mt -107.86 -37.86 5.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 39.7 t -150.2 135.52 9.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.71 -178.27 16.28 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.386 -0.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -96.36 -40.44 9.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -143.62 173.93 11.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -40.52 132.62 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 27.4 m -113.56 178.5 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 m -147.95 122.83 10.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -133.72 162.0 33.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.5 m -140.02 150.87 44.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CD2' HG23 ' A' ' 28' ' ' VAL . 82.0 m-85 -151.93 175.26 12.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.1 m -111.09 155.41 22.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 25' ' ' SER . 60.5 m -61.32 140.87 57.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 24' ' ' THR . 19.8 m 66.23 47.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -131.19 175.8 8.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.4 ttt85 -104.26 112.89 26.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.404 HG23 ' CD2' ' A' ' 22' ' ' PHE . 54.4 t -109.55 132.95 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.458 ' CG2' HG12 ' A' ' 68' ' ' ILE . 16.7 t -138.34 114.45 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.5 mt -81.44 -175.06 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 m -157.69 142.72 16.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.1 t -163.44 133.97 4.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -107.53 142.5 37.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.573 HD11 ' CD2' ' A' ' 65' ' ' HIS . 27.7 mt -116.42 171.99 7.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 t -108.65 25.83 11.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.461 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 13.3 mtp85 -150.57 117.7 5.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 38' ' ' ASP . 98.6 t -75.23 136.58 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.427 ' N ' HG12 ' A' ' 37' ' ' VAL . 1.3 m-20 62.14 42.68 9.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.475 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 3.8 t80 -103.4 139.09 19.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.4 Cg_endo -69.81 150.0 67.3 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.3 159.74 37.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.2 m -138.77 120.8 15.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -81.21 138.48 35.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.51 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 69.3 m-85 -129.29 135.81 49.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.955 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -117.9 132.89 56.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 t70 46.24 38.83 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.45 37.44 92.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.507 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -148.26 128.86 14.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.51 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 16.7 ttmt -48.33 144.31 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 m -94.4 147.6 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -102.38 115.6 30.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.0 115.21 5.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 t -156.75 179.35 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -55.45 -31.06 61.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.5 mt -80.41 -16.56 54.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.5 tt -131.49 107.34 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.8 t -105.06 132.72 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.1 t -124.42 120.43 59.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -104.75 134.41 47.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.554 ' HG3' ' CE1' ' A' ' 65' ' ' HIS . 0.7 OUTLIER -125.15 119.02 27.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -133.78 102.1 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 44.58 -98.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -112.01 38.04 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.367 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -135.2 113.28 11.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.573 ' CD2' HD11 ' A' ' 34' ' ' LEU . 39.1 m-70 -122.94 126.06 46.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -142.36 161.39 38.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.69 118.42 29.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.458 HG12 ' CG2' ' A' ' 29' ' ' VAL . 61.5 mt -100.98 153.37 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.439 ' N ' HG21 ' A' ' 68' ' ' ILE . 45.6 mt -142.42 118.48 6.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 110.918 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -37.31 9.46 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -133.42 98.81 4.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.21 92.34 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.085 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -84.65 153.83 22.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.2 t -43.15 -38.08 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -60.55 -41.19 94.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -48.88 -35.21 14.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.5 p -48.46 103.76 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.21 -151.74 7.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -123.6 129.15 50.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -107.0 144.03 34.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -138.09 130.15 28.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 48.7 t -91.83 76.28 5.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -59.57 127.25 31.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.8 t -143.49 167.27 22.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.411 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -65.69 79.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 151.47 -72.72 0.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.7 m -136.68 -177.25 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 111.13 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.17 150.73 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.28 172.11 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -134.92 129.5 34.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.457 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 94.5 m-85 -128.52 123.5 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.98 120.38 6.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.409 HG11 ' N ' ' A' ' 94' ' ' THR . 94.2 t -117.57 135.78 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 111.189 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.409 ' N ' HG11 ' A' ' 93' ' ' VAL . 52.8 m -130.42 109.95 11.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.0 t -95.91 105.3 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -97.78 125.82 42.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -72.08 130.43 86.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.634 0.73 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 113.22 3.3 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.4 m -63.72 111.51 2.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.69 -173.0 45.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.526 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 110.21 2.5 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 t -105.03 150.79 24.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 t -118.03 -57.6 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.524 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.0 t -113.87 107.52 15.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.934 0.397 . . . . 0.0 110.826 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 t -130.26 157.69 41.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.815 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -179.88 -136.01 2.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 4' ' ' GLY . 51.8 p -34.94 144.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 t -91.12 85.11 5.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.85 81.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -50.05 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 10' ' ' HIS . 5.8 p -159.33 136.25 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.167 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.418 ' N ' HG23 ' A' ' 9' ' ' VAL . 7.0 p-80 -129.0 133.95 47.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.7 mt -57.31 148.15 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 mt -116.47 -34.82 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 29.6 t -150.01 129.17 6.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.687 0.756 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.77 -174.02 9.11 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.364 -0.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -101.11 -36.66 8.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -145.0 175.88 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 tptm -48.51 130.79 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 28.4 m -110.47 170.23 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.4 t -135.07 132.13 37.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mt -147.25 149.38 32.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 m -131.69 131.94 43.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -132.75 169.02 17.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 25.6 m -110.58 151.44 27.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.3 m -51.62 149.64 4.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 p 60.49 45.45 10.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 23' ' ' THR . 9.4 mm-40 -129.4 176.1 8.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -104.1 117.34 34.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.3 t -114.5 114.2 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -127.96 116.16 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.6 mt -87.53 -175.01 5.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.0 m -157.52 135.24 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.2 t -141.56 153.99 45.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -134.24 151.75 51.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.5 mt -127.61 173.94 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -87.19 -22.97 24.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -116.72 145.46 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.471 HG22 ' N ' ' A' ' 63' ' ' ARG . 0.4 OUTLIER -91.8 163.1 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 2.9 p30 47.31 42.09 13.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.515 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 23.0 t80 -103.34 139.29 19.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.2 Cg_endo -69.72 149.35 67.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -161.1 177.82 9.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.466 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 23.3 m -154.49 141.6 19.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -94.13 143.81 26.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.466 ' CZ ' HG21 ' A' ' 42' ' ' THR . 96.9 m-85 -140.32 151.25 44.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -131.92 126.47 34.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 51.71 38.06 21.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.83 29.97 66.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -133.75 155.8 49.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.446 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 74.4 tttt -83.8 126.7 33.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.1 m -75.06 157.43 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -112.59 107.42 16.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -59.7 118.24 5.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 p -154.8 -178.44 7.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -54.96 -38.09 67.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.5 mt -80.35 -10.44 59.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -131.01 104.9 7.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.4 t -102.12 135.62 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.3 t -128.15 104.83 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -99.26 134.21 42.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.419 ' SD ' ' C ' ' A' ' 60' ' ' MET . 0.4 OUTLIER -121.32 134.98 55.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -134.76 88.61 2.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.43 ' C ' HG22 ' A' ' 37' ' ' VAL . . . 51.79 -95.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.471 ' N ' HG22 ' A' ' 37' ' ' VAL . 10.7 ptt180 -109.62 32.13 5.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -142.41 107.59 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -111.19 130.33 55.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -140.83 142.38 34.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 tt -107.35 124.2 49.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.4 mt -103.26 148.36 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.41 HD11 ' CG ' ' A' ' 76' ' ' ASP . 53.6 mt -137.14 119.67 11.45 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.615 0.722 . . . . 0.0 110.958 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -36.08 11.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -132.81 114.71 14.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.25 95.07 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -86.93 148.07 25.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.5 t -42.2 -37.01 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -64.64 -40.52 95.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.41 ' CG ' HD11 ' A' ' 69' ' ' LEU . 20.0 t0 -49.56 -31.77 11.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 p -55.06 124.74 17.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.17 176.42 32.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -80.62 131.81 35.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -107.1 128.34 54.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -116.67 136.67 52.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 17.3 t -114.72 78.24 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.2 mtp85 -66.06 128.72 37.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.22 -74.3 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.44 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 4.5 tp10 -119.69 -64.9 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.14 -22.26 1.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.435 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.7 m -113.33 172.78 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.29 162.58 40.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.427 ' HB1' ' CE1' ' A' ' 91' ' ' PHE . . . -102.78 170.17 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.03 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -135.56 115.37 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.457 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 79.7 m-85 -115.72 113.91 24.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.48 117.56 4.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.2 t -120.55 145.94 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.927 0.394 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.7 m -142.31 109.4 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.1 t -96.27 96.76 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -95.41 122.35 38.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -63.27 134.83 95.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.565 0.698 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.465 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.3 Cg_endo -69.81 156.32 63.5 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.8 m -47.73 -49.4 28.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -123.54 145.12 15.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.476 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 127.04 13.97 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -115.93 131.47 56.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.3 t -132.74 -49.6 0.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.5 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.4 p -90.73 106.99 18.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.38 . . . . 0.0 110.849 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -157.45 147.78 20.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.88 120.66 6.93 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' SER . 68.1 m -72.25 128.79 36.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.852 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' SER . 35.3 t -35.91 -63.04 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.24 147.95 27.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.536 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.8 p -164.72 153.62 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -154.93 135.04 13.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -60.5 145.81 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 mt -110.39 -36.16 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.526 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 2.2 t -152.32 137.22 10.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.676 0.751 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.74 -176.16 12.12 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.378 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -99.88 -37.5 9.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.24 170.04 16.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.2 tptm -44.62 134.0 5.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 30.6 m -113.56 170.95 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.1 p -142.47 131.8 23.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -140.91 165.94 26.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.1 m -142.49 144.53 33.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -145.58 170.55 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.418 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 57.7 m -113.37 152.8 29.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 25' ' ' SER . 89.2 m -51.99 143.91 12.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.447 ' N ' HG22 ' A' ' 24' ' ' THR . 8.8 m 62.54 49.01 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.801 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -130.32 178.35 6.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -104.43 114.2 28.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.6 t -108.15 112.69 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.14 109.81 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.7 mt -79.28 -174.38 4.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.47 ' O ' ' CE2' ' A' ' 91' ' ' PHE . 21.9 m -155.34 137.17 14.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.1 t -151.74 148.41 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -124.85 155.79 38.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.543 HD11 ' CD2' ' A' ' 65' ' ' HIS . 60.0 mt -136.21 -177.47 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 t -114.77 8.32 16.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.425 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 2.4 mmp_? -135.27 140.9 45.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.47 HG21 ' CG ' ' A' ' 63' ' ' ARG . 71.0 t -96.11 153.12 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 51.97 31.76 9.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.524 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 6.7 t80 -91.4 140.07 25.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.65 0.738 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.2 Cg_endo -69.78 148.16 64.31 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.254 . . . . 0.0 112.347 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.75 170.03 19.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.5 m -154.5 136.92 14.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -88.27 138.23 31.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.529 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 96.5 m-85 -132.98 132.75 42.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -117.27 128.28 54.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 50.26 42.95 26.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.52 38.2 95.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.476 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -146.91 124.56 11.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.529 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 43.3 tttm -50.2 144.72 6.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.3 m -90.28 151.77 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -98.92 119.38 37.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -77.29 115.59 17.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.7 p -159.15 -179.38 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -53.92 -34.35 59.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.9 mt -79.43 -11.81 59.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tt -132.7 105.55 7.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.447 ' CG1' ' HD3' ' A' ' 59' ' ' LYS . 13.9 t -102.01 125.67 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.2 t -112.46 112.65 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HD3' ' CG1' ' A' ' 57' ' ' VAL . 5.6 mmmm -102.42 133.79 46.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.466 ' HG3' ' CE1' ' A' ' 65' ' ' HIS . 5.3 ttp -123.47 102.13 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.16 75.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.15 -95.87 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.509 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.47 ' CG ' HG21 ' A' ' 37' ' ' VAL . 25.2 mtt180 -95.59 -19.11 20.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -93.24 123.34 36.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.543 ' CD2' HD11 ' A' ' 34' ' ' LEU . 21.6 m-70 -123.21 129.26 51.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.823 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -142.24 155.02 45.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.466 HD21 ' N ' ' A' ' 68' ' ' ILE . 3.1 tt -119.09 123.56 44.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.466 ' N ' HD21 ' A' ' 67' ' ' LEU . 17.5 mt -100.0 151.34 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 30.8 mt -140.3 119.2 8.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.616 0.722 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -38.93 7.18 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.379 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -129.35 109.87 11.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.25 93.23 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -84.59 146.08 27.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.9 t -43.76 -31.58 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -68.93 -39.28 79.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -52.15 -33.52 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 p -52.67 139.2 26.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.37 -159.48 28.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -103.72 129.64 51.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -107.43 130.56 54.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -119.95 132.23 55.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.0 t -110.1 95.97 5.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -86.79 150.84 23.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.0 -75.12 0.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.414 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 17.9 tt0 -118.28 -65.16 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.33 -22.74 1.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.2 m -114.88 158.64 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.53 168.35 19.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.4 ' C ' ' CD1' ' A' ' 90' ' ' PHE . . . -108.18 179.18 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 89' ' ' ALA . 55.4 m-85 -146.94 125.39 12.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.47 ' CE2' ' O ' ' A' ' 31' ' ' THR . 62.4 m-85 -128.82 117.78 21.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.72 130.09 9.48 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 94' ' ' THR . 85.4 t -131.25 142.64 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.426 ' N ' HG13 ' A' ' 93' ' ' VAL . 64.3 m -141.18 109.43 5.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.7 t -94.04 100.76 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -94.24 121.7 36.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -66.24 133.05 94.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.418 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.1 Cg_endo -69.81 179.89 3.4 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 t -98.69 78.99 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -145.82 131.49 4.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 126.15 12.98 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.642 2.228 . . . . 0.0 112.381 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.4 t -158.39 132.0 7.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.4 p -65.82 -19.49 65.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -50.62 150.38 2.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t 53.05 30.65 9.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.83 154.96 19.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 m -66.86 172.13 4.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.7 p -76.74 121.4 23.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.36 120.66 3.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.64 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 85' ' ' GLU . 1.5 p -142.27 132.13 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.543 ' CE1' ' OG ' ' A' ' 35' ' ' SER . 29.0 p-80 -134.69 131.38 37.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.9 mt -66.5 139.7 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -105.44 -32.6 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.513 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 30.1 t -158.85 130.83 4.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.654 0.74 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.3 Cg_endo -69.82 -169.89 5.46 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.342 0.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -125.54 -29.48 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -135.39 158.58 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.568 ' HZ3' ' N ' ' A' ' 92' ' ' GLY . 16.3 tptp -40.06 129.95 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 m -108.79 178.04 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -149.97 118.72 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mt -130.61 153.76 48.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.423 HG22 ' NE2' ' A' ' 96' ' ' GLN . 17.9 m -139.88 136.2 33.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -135.58 167.05 21.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.488 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 78.1 m -102.92 144.66 30.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.132 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.1 m -46.13 156.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.4 p 51.78 51.0 17.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 23' ' ' THR . 31.5 mm-40 -137.52 174.16 10.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -99.16 115.88 30.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.2 t -110.61 116.04 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.17 119.32 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.7 mt -89.31 -176.69 5.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 m -150.41 143.07 24.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.7 t -153.89 145.47 23.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -123.56 150.32 44.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.425 HD12 ' CD2' ' A' ' 65' ' ' HIS . 74.9 mt -130.75 173.97 10.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.543 ' OG ' ' CE1' ' A' ' 10' ' ' HIS . 5.5 t -105.99 5.87 30.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -130.68 117.05 18.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.454 HG23 ' NE ' ' A' ' 63' ' ' ARG . 96.0 t -73.62 136.7 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t0 63.91 52.93 2.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.523 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.2 t80 -113.32 140.59 24.56 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.73 163.09 39.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.87 163.16 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.3 m -141.41 123.27 15.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -77.83 132.24 37.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -123.98 133.39 53.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -113.75 130.08 56.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 t0 49.95 39.81 19.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.13 22.81 77.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -128.05 155.98 43.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -80.26 127.11 31.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.9 m -83.54 155.54 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -108.26 140.61 41.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -87.63 113.91 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -151.78 -176.18 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -58.74 -25.76 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.413 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 75.6 mt -88.77 -13.33 39.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 tt -133.46 105.05 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 t -102.13 135.67 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.9 t -125.82 108.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -99.18 135.35 40.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.6 ttt -116.14 153.11 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -164.2 156.68 17.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -39.84 106.03 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.454 ' NE ' HG23 ' A' ' 37' ' ' VAL . 50.6 mtt180 53.85 42.68 31.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.893 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -154.5 122.58 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.425 ' CD2' HD12 ' A' ' 34' ' ' LEU . 52.1 m-70 -137.03 115.06 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -129.59 148.94 51.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 tt -111.35 122.19 47.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 69' ' ' LEU . 22.1 mt -100.78 152.11 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.432 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 10.7 mt -140.04 119.55 8.88 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.601 0.715 . . . . 0.0 110.912 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -37.37 9.21 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -134.02 112.8 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.19 94.27 9.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -88.24 152.47 21.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.2 t -49.11 -29.69 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -69.12 -34.89 75.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.61 -10.45 56.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 m -68.9 104.96 2.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.08 -159.82 20.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.454 ' OE2' ' N ' ' A' ' 91' ' ' PHE . 32.6 tp10 -107.85 134.45 50.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -106.28 153.79 21.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -150.23 131.55 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 52.9 t -99.76 76.1 1.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -57.95 133.82 55.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.2 t -152.13 166.78 30.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 7.1 tp10 -69.47 77.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 156.74 -68.51 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 36.0 m -140.88 -177.71 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.21 146.13 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.49 165.83 10.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -136.33 122.11 19.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.454 ' N ' ' OE2' ' A' ' 79' ' ' GLU . 77.6 m-85 -123.52 117.16 24.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.568 ' N ' ' HZ3' ' A' ' 17' ' ' LYS . . . -89.04 104.59 3.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 98.1 t -103.14 142.77 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.1 m -139.95 120.2 13.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.7 t -105.29 101.78 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.423 ' NE2' HG22 ' A' ' 21' ' ' THR . 38.6 mt-30 -97.01 118.49 33.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -56.22 133.37 75.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.14 25.31 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.9 t -93.37 84.04 4.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -48.49 145.03 6.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 129.52 17.75 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 m -104.86 90.97 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 82.7 p -88.43 134.48 33.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -97.45 146.92 24.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.363 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -79.03 -43.5 24.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.2 145.29 10.57 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 m -56.16 150.26 14.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.9 p -58.96 111.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.99 95.76 1.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -46.67 1.16 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.267 . . . . 0.0 112.324 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.532 HG12 ' CZ ' ' A' ' 39' ' ' PHE . 5.9 p -133.86 113.11 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -113.49 142.31 46.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.2 mt -79.94 138.45 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mt -98.84 -31.6 11.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.535 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 3.4 m -159.97 144.15 10.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.709 0.766 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.0 Cg_endo -69.72 171.88 51.46 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.346 -0.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -89.62 -29.14 19.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -148.93 165.27 32.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.18 129.1 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.6 m -110.58 153.8 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -118.85 136.14 54.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mt -138.05 157.2 46.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -143.5 137.21 28.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -143.21 179.24 7.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.451 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 52.9 m -115.74 141.9 47.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.418 HG23 ' N ' ' A' ' 25' ' ' SER . 85.0 m -47.33 139.68 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.418 ' N ' HG23 ' A' ' 24' ' ' THR . 7.6 t 72.67 44.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -134.46 174.12 10.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -98.5 121.42 40.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.3 t -118.51 116.0 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.101 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -125.93 117.36 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.6 mt -84.22 -174.74 5.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.449 HG21 ' N ' ' A' ' 32' ' ' CYS . 43.0 m -154.87 145.8 22.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.449 ' N ' HG21 ' A' ' 31' ' ' THR . 42.2 t -158.09 151.42 23.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -128.35 146.17 50.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.2 mt -124.08 -176.04 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 p -113.98 2.75 15.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.406 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 30.1 mtp180 -134.18 129.68 36.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 t -77.32 143.31 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 56.17 45.05 24.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.532 ' CZ ' HG12 ' A' ' 9' ' ' VAL . 7.2 t80 -98.65 139.96 21.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.685 0.755 . . . . 0.0 110.844 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.81 143.37 50.38 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.42 154.42 22.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.445 HG22 ' CE1' ' A' ' 44' ' ' TYR . 60.5 m -133.72 134.24 42.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -88.91 143.23 27.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.542 ' CD2' ' HA ' ' A' ' 49' ' ' LYS . 92.0 m-85 -136.03 145.66 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -127.29 128.49 46.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 t70 54.93 30.97 14.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.32 21.98 71.7 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.507 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -125.99 152.33 45.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.542 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 25.3 ttmt -75.39 127.97 34.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.3 m -79.06 167.66 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -124.1 140.1 53.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -88.18 117.53 27.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.7 p -156.95 -175.17 5.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -59.17 -32.8 70.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.6 mt -82.38 -15.23 53.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.454 HD21 ' CD2' ' A' ' 67' ' ' LEU . 1.2 tt -133.41 106.59 7.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.9 t -105.17 128.77 58.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.57 106.18 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -99.24 131.63 45.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.552 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 3.4 ttt -113.22 166.44 11.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 60' ' ' MET . 3.1 t0 -174.63 167.22 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -45.32 109.29 0.29 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.406 ' HG2' ' C ' ' A' ' 36' ' ' ARG . 51.6 mtt180 44.74 33.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -148.26 119.22 7.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -134.27 140.65 46.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -148.37 149.4 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.454 ' CD2' HD21 ' A' ' 56' ' ' LEU . 2.1 tt -109.33 119.92 40.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 69' ' ' LEU . 11.4 mt -98.47 151.86 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 51.0 mt -140.8 119.25 8.19 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.617 0.722 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -37.92 8.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.239 . . . . 0.0 112.322 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -134.95 103.84 5.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.94 90.38 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -80.33 156.89 26.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.64 -20.69 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -80.35 -26.4 38.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.94 -12.17 60.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.5 p -69.57 129.26 39.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.51 -152.9 23.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.452 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -110.2 131.63 54.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -107.8 148.15 29.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -141.88 135.27 29.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.9 t -99.8 91.06 4.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.7 ttp85 -65.48 119.94 11.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.6 164.22 28.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -75.85 60.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 177.4 -64.95 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 m -139.75 179.16 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.85 142.03 44.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.36 170.76 7.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -142.01 128.04 19.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -129.12 116.74 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -84.18 125.91 7.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 70.0 t -129.33 124.29 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 98.0 m -126.37 100.29 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.3 t -88.63 98.9 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -91.07 128.54 36.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.75 133.42 73.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.451 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.7 Cg_endo -69.84 91.08 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.8 m -46.25 148.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.22 169.95 39.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 107.78 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.627 2.218 . . . . 0.0 112.37 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 t -64.54 135.33 55.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.9 m -101.78 176.64 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 p -101.81 114.99 29.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.826 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -113.02 148.02 35.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.41 170.34 0.21 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -165.53 137.31 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 t -55.94 128.66 36.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.92 138.77 4.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -50.63 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.277 . . . . 0.0 112.317 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -163.53 118.78 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.456 ' CD2' HD22 ' A' ' 12' ' ' LEU . 24.0 p-80 -106.75 163.47 12.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -88.02 147.15 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.456 HD22 ' CD2' ' A' ' 10' ' ' HIS . 6.6 mt -115.97 -32.64 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.483 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 36.1 t -157.5 127.1 3.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.8 Cg_endo -69.82 -173.84 8.95 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.317 0.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -99.91 -37.62 8.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.04 -70.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -155.95 142.31 18.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 14' ' ' PRO . 17.7 m -113.38 155.87 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -122.84 129.39 51.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mt -143.55 144.43 31.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -126.86 137.6 53.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -140.28 170.97 14.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.468 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 90.3 m -111.5 142.37 43.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.188 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.451 HG21 ' N ' ' A' ' 25' ' ' SER . 97.7 m -42.52 140.59 1.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.451 ' N ' HG21 ' A' ' 24' ' ' THR . 15.3 m 66.34 48.43 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 23' ' ' THR . 12.1 mm-40 -132.46 178.87 6.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -100.25 122.4 42.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.1 t -119.42 112.85 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.1 p -126.64 119.45 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.41 -174.74 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.5 m -155.55 129.41 8.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.7 t -136.44 138.57 41.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -118.69 145.96 45.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -127.23 174.31 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 p -106.23 29.5 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 13.2 mtt180 -156.14 112.9 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.441 ' CG2' ' HG3' ' A' ' 63' ' ' ARG . 12.5 t -71.77 150.68 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.416 ' N ' HG12 ' A' ' 37' ' ' VAL . 1.4 m-20 53.41 53.29 11.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.814 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' A' ' 85' ' ' GLU . 17.0 t80 -117.87 136.39 23.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.406 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.79 158.2 57.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.47 179.96 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.1 m -153.38 157.53 40.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -106.95 151.22 25.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.559 ' CD2' ' HA ' ' A' ' 49' ' ' LYS . 87.2 m-85 -143.88 153.56 42.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 75' ' ' GLN . 11.8 tttt -134.26 131.42 38.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 t70 41.63 37.2 0.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.51 33.5 58.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' LYS . 38.1 mt-30 -135.22 121.65 20.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.926 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 13.8 tttp -59.36 137.28 58.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.451 ' HB ' ' CD1' ' A' ' 56' ' ' LEU . 11.3 m -95.18 159.7 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -120.75 112.27 18.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -52.2 123.19 10.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.2 p -162.74 -175.4 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.12 -24.58 59.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.406 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 92.1 mt -90.3 -17.06 28.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.451 ' CD1' ' HB ' ' A' ' 50' ' ' VAL . 5.7 tt -136.43 105.05 5.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.03 140.12 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.7 t -130.21 118.54 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -106.97 169.74 8.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 29.7 ttp -149.82 106.64 3.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -114.81 76.24 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 61' ' ' ASP . . . 41.03 94.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.441 ' HG3' ' CG2' ' A' ' 37' ' ' VAL . 61.0 mtm180 63.68 24.98 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -132.49 100.94 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -110.02 106.94 16.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -122.03 140.45 52.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.2 tt -107.11 117.65 34.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.425 ' CG2' ' N ' ' A' ' 69' ' ' LEU . 11.4 mt -97.06 151.92 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.425 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 15.3 mt -140.89 119.18 8.1 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.604 0.716 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -37.93 8.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' OE1' ' NZ ' ' A' ' 73' ' ' LYS . 13.9 tt0 -125.71 118.08 24.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.07 90.44 8.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.4 ' NZ ' ' OE1' ' A' ' 71' ' ' GLU . 40.5 mttm -84.22 145.56 28.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.9 t -44.43 -35.75 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.438 ' O ' ' NZ ' ' A' ' 45' ' ' LYS . 35.7 mt-30 -63.54 -36.65 84.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -55.71 -25.33 39.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.3 p -63.89 104.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.82 178.92 47.71 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -80.47 129.25 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.389 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -108.61 134.55 51.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -123.74 147.15 47.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.9 t -125.29 98.26 5.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -83.2 121.68 27.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.68 -75.59 0.6 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.472 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 33.6 tp10 -123.16 -71.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.59 -8.37 4.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.5 m -120.69 174.21 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 111.105 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.9 149.34 14.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.99 167.1 10.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.093 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -134.97 142.12 46.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -141.77 123.99 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.83 110.53 3.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 94' ' ' THR . 61.6 t -108.67 136.87 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 111.116 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.42 ' N ' HG13 ' A' ' 93' ' ' VAL . 71.8 m -132.08 110.85 10.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.0 t -101.75 108.53 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -104.37 123.53 47.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -62.87 134.5 95.63 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.468 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.5 Cg_endo -69.79 -171.09 0.44 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 t -128.51 92.24 3.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.42 163.4 36.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 115.01 3.89 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.5 t -132.92 119.22 19.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.7 p -82.23 84.37 7.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.47 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.9 t -58.54 80.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 1' ' ' GLY . 5.1 m -129.36 168.53 16.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.3 51.13 0.32 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -92.14 154.72 18.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 110.878 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -61.17 106.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.41 86.49 1.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.516 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -46.87 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.4 p -159.01 130.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 35' ' ' SER . 27.5 p-80 -132.26 144.36 50.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.9 mt -78.16 134.1 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.8 -34.74 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.527 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 58.0 p -151.62 138.03 11.62 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.9 Cg_endo -69.75 -168.54 4.46 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.32 -0.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -102.85 -22.39 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 17' ' ' LYS . 4.4 p30 -162.54 159.49 24.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 16' ' ' ASP . 8.5 tttt -34.15 128.88 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 29.1 m -107.87 169.34 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 t -140.0 128.67 23.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mt -136.28 167.93 20.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m -144.38 135.05 24.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -138.74 173.91 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.46 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 25.6 m -108.99 159.67 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.0 m -63.3 134.88 56.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 t 73.67 46.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -126.67 175.5 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -103.16 102.4 12.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.4 t -96.64 132.73 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.47 ' CG2' HG12 ' A' ' 68' ' ' ILE . 24.7 t -140.75 120.44 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.9 mt -92.86 -175.41 3.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.3 m -159.21 137.61 10.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.9 t -151.11 136.92 18.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -116.18 145.22 43.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.528 HD12 ' CD2' ' A' ' 65' ' ' HIS . 81.2 mt -124.68 -176.01 3.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.558 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 60.2 p -106.02 -10.2 16.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -119.66 135.64 54.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.43 ' O ' ' CG ' ' A' ' 38' ' ' ASP . 17.5 t -86.71 152.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 2.9 p30 49.55 25.82 1.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.527 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.0 t80 -77.56 140.67 64.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.81 151.2 68.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -173.11 171.65 4.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.6 m -147.46 138.76 23.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -90.06 129.98 36.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -124.28 147.37 48.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 48' ' ' GLN . 15.7 tttm -128.59 135.46 49.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 t70 39.76 25.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . 86.42 34.91 11.21 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.52 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 45' ' ' LYS . 11.6 pt20 -140.27 133.16 29.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.926 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -67.2 125.8 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.2 m -73.37 170.66 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -132.6 103.16 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -49.26 113.35 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 t -152.45 -176.56 5.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.0 -32.74 66.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.5 mt -87.83 -1.31 57.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.41 HD21 ' CD2' ' A' ' 67' ' ' LEU . 3.4 tt -144.32 106.44 4.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 t -104.33 134.31 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.2 t -124.03 115.36 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -99.52 145.83 27.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.0 ttp -134.44 101.86 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -104.67 61.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.35 -94.95 1.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.99 5.05 23.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 0.0 110.905 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -107.71 123.82 49.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.528 ' CD2' HD12 ' A' ' 34' ' ' LEU . 36.3 m-70 -121.94 125.46 46.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.802 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -132.45 145.07 50.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.549 ' C ' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -109.16 112.39 24.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.47 HG12 ' CG2' ' A' ' 29' ' ' VAL . 37.3 mt -97.42 151.41 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.402 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 45.6 mt -140.02 118.78 8.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.575 0.703 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -37.53 9.02 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.701 2.268 . . . . 0.0 112.324 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -133.12 101.53 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.08 106.87 17.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -102.14 170.4 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -57.78 -24.54 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -74.9 -30.84 61.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.98 -21.12 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.5 p -59.25 114.96 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.13 -159.79 26.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' OE2' ' C ' ' A' ' 91' ' ' PHE . 20.5 tp10 -111.9 136.65 50.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -108.52 150.01 28.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -143.73 130.21 20.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.9 t -100.4 74.12 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -58.57 138.95 56.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.4 t -153.15 168.87 24.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -66.19 73.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.79 -73.83 0.22 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.9 m -137.69 -179.63 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.95 158.96 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.26 168.16 9.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -137.61 122.51 18.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.433 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 51.5 m-85 -122.91 114.31 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.34 109.01 3.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.451 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 88.9 t -110.76 146.11 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.2 m -139.05 138.5 37.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.6 t -123.02 99.17 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -95.17 132.74 39.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -75.07 131.59 78.42 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.609 0.719 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.46 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.6 Cg_endo -69.76 101.88 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.712 2.274 . . . . 0.0 112.359 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.2 m -101.26 128.26 47.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 124.16 162.83 11.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.8 Cg_endo -69.74 2.87 3.14 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 101' ' ' PRO . 96.8 p -36.61 -44.36 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.0 t -112.54 158.39 19.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -41.68 125.93 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 0.0 110.821 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -56.95 143.99 35.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.41 133.8 35.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -77.56 -54.44 6.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -124.8 -47.81 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.33 109.07 0.5 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.532 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -49.84 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.36 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.564 HG11 ' CE1' ' A' ' 39' ' ' PHE . 11.3 p -104.84 125.08 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.549 ' CE1' ' OG ' ' A' ' 35' ' ' SER . 19.4 p-80 -119.21 133.21 55.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.5 ' CD1' ' C ' ' A' ' 88' ' ' SER . 15.3 mt -72.15 133.9 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mt -93.21 -36.86 12.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.55 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 17.5 t -154.06 141.23 13.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.7 Cg_endo -69.73 151.79 91.66 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.341 -0.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -69.41 -33.32 72.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -146.34 176.33 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -50.32 143.77 8.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.448 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 28.3 m -120.91 174.19 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.4 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 13.7 t -139.83 131.95 28.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.4 ' HG ' ' C ' ' A' ' 19' ' ' SER . 4.1 mt -146.72 144.17 29.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 m -125.18 152.09 44.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -155.22 175.87 13.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.483 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 23.5 m -113.49 140.71 47.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 25' ' ' SER . 90.7 m -44.69 140.03 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.434 ' N ' HG23 ' A' ' 24' ' ' THR . 1.1 t 74.17 36.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 23' ' ' THR . 5.4 mm-40 -120.29 179.4 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -106.68 121.86 45.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 62.5 t -117.85 126.63 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.461 ' CG2' HG12 ' A' ' 68' ' ' ILE . 23.3 t -135.14 113.18 15.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.422 HD11 ' CZ3' ' A' ' 43' ' ' TRP . 78.0 mt -85.23 -175.17 5.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.6 m -160.36 136.94 8.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.3 t -146.69 146.19 30.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -121.87 156.26 33.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.52 HD13 ' CD2' ' A' ' 65' ' ' HIS . 72.8 mt -129.1 170.16 13.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.549 ' OG ' ' CE1' ' A' ' 10' ' ' HIS . 22.9 t -81.28 -33.96 32.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.564 ' HD2' ' CE2' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -120.27 148.64 43.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.467 ' CG2' ' HA3' ' A' ' 62' ' ' GLY . 0.5 OUTLIER -86.27 172.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 4.3 p-10 47.13 48.43 15.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 2.3 t80 -113.72 138.89 22.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.73 154.7 67.53 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.73 2.287 . . . . 0.0 112.316 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.25 149.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 43' ' ' TRP . 28.4 m -131.99 144.31 50.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.452 ' N ' HG23 ' A' ' 42' ' ' THR . 82.6 m95 -90.49 139.16 30.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.433 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 92.2 m-85 -132.58 140.19 48.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -123.2 126.28 46.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t0 55.99 30.53 16.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.4 23.22 68.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -129.27 148.36 51.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 33.3 ttpt -70.81 130.59 42.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.3 m -82.02 157.21 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -108.99 125.8 52.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -77.38 114.57 16.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -153.63 -175.95 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -58.53 -35.82 72.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.5 mt -80.89 -7.9 59.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -140.91 105.72 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.6 t -102.06 142.05 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.7 t -130.81 104.53 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -99.41 137.48 37.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.5 ttt -135.94 109.32 7.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.27 59.7 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.467 ' HA3' ' CG2' ' A' ' 37' ' ' VAL . . . 86.86 -91.14 1.71 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 ptt-85 -109.5 3.15 20.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -109.31 104.72 13.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.52 ' CD2' HD13 ' A' ' 34' ' ' LEU . 29.4 m-70 -106.34 129.08 54.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -142.46 139.6 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' ' 67' ' ' LEU . 3.3 tt -107.73 119.51 39.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.461 HG12 ' CG2' ' A' ' 29' ' ' VAL . 14.5 mt -100.61 150.85 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.401 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 36.9 mt -138.55 119.09 9.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.578 0.704 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -37.41 9.1 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.688 2.259 . . . . 0.0 112.344 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -134.92 92.45 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.23 101.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -93.17 163.98 13.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.7 t -55.72 -32.29 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -68.84 -35.96 77.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -63.21 -22.57 66.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.2 p -63.12 128.34 35.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.54 -175.36 38.12 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -84.65 128.45 34.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -109.41 126.94 53.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -121.58 130.52 53.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 27.2 t -107.56 83.61 1.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.428 ' HG2' ' N ' ' A' ' 84' ' ' THR . 15.2 ttt180 -85.18 146.54 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.428 ' N ' ' HG2' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -130.45 -77.28 0.53 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -115.75 -67.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.45 -4.17 5.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.2 m -130.5 165.07 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.123 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.5 ' C ' ' CD1' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -159.5 166.05 31.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.485 ' O ' ' CD1' ' A' ' 90' ' ' PHE . . . -106.97 -179.98 4.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 89' ' ' ALA . 33.0 m-85 -149.62 134.2 17.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.448 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 36.3 m-85 -142.17 122.09 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.94 113.45 4.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 61.9 t -113.42 133.8 58.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.937 0.398 . . . . 0.0 111.093 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.5 m -126.07 108.76 11.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.2 t -99.52 98.85 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -93.12 124.36 37.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -63.11 137.56 97.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.702 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 151.29 68.99 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.1 p -62.49 120.8 11.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.62 154.35 23.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.8 Cg_endo -69.78 2.7 3.31 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.256 . . . . 0.0 112.327 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 101' ' ' PRO . 2.7 t -36.37 122.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.4 p -157.56 -178.69 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -84.71 89.37 7.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.93 0.395 . . . . 0.0 110.888 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 m -113.26 -51.76 2.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.71 84.23 0.34 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 m -67.37 128.81 37.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.866 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -134.93 102.84 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.03 86.3 1.34 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.6 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.685 2.257 . . . . 0.0 112.358 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 10' ' ' HIS . 14.8 p -131.97 143.82 39.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.471 ' N ' HG23 ' A' ' 9' ' ' VAL . 33.6 p-80 -135.05 132.19 37.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.6 mt -67.08 149.36 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mt -114.14 -35.24 5.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 3.2 m -152.66 132.37 7.13 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.819 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.69 -178.55 16.87 Favored 'Cis proline' 0 C--O 1.231 0.144 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.372 -0.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -96.9 -37.03 10.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.25 174.8 10.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -43.33 133.25 4.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.5 m -111.87 174.96 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -140.39 127.94 21.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.2 mt -141.24 151.56 43.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -137.92 138.77 39.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -141.15 170.8 15.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.463 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 59.4 m -106.1 152.95 22.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.8 m -52.14 150.07 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.2 p 56.11 51.69 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -130.47 177.56 7.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.4 ttt-85 -107.65 107.17 17.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.4 t -102.05 131.06 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.505 ' CG2' HG12 ' A' ' 68' ' ' ILE . 51.0 t -136.24 117.67 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.3 mt -86.96 -175.25 5.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.6 m -158.46 134.57 9.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.4 t -149.96 143.08 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -119.45 158.79 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.518 HD12 ' CD2' ' A' ' 65' ' ' HIS . 32.6 mt -138.32 171.46 14.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 t -109.56 23.86 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -148.73 111.08 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.447 ' CG2' ' HG3' ' A' ' 63' ' ' ARG . 54.9 t -70.06 146.54 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t70 60.91 39.84 16.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -106.92 124.24 36.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.671 0.748 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 168.51 21.38 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.222 . . . . 0.0 112.352 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -171.63 -178.48 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.442 HG21 ' CE1' ' A' ' 44' ' ' TYR . 33.2 m -146.52 140.74 26.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -98.08 123.82 42.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 49' ' ' LYS . 71.3 m-85 -115.25 143.76 44.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -131.0 129.24 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 47.64 40.65 12.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.38 35.51 87.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -149.58 116.57 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.509 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 29.3 ttpt -51.94 131.52 31.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.0 m -78.89 169.04 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -131.88 101.04 5.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -40.13 134.27 1.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -162.3 -176.21 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -56.21 -37.43 69.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.413 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 19.6 mt -90.07 -7.05 54.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -129.52 101.74 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 t -103.15 134.77 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.1 t -128.06 113.72 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -102.04 154.0 19.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.47 ' HG2' ' N ' ' A' ' 61' ' ' ASP . 2.7 ttt -131.85 148.97 52.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.47 ' N ' ' HG2' ' A' ' 60' ' ' MET . 1.3 m-20 -159.73 154.2 23.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -40.23 106.84 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.447 ' HG3' ' CG2' ' A' ' 37' ' ' VAL . 96.8 mtt180 53.92 42.19 31.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -155.58 121.28 5.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.518 ' CD2' HD12 ' A' ' 34' ' ' LEU . 81.2 m-70 -133.57 120.11 20.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 ptt-85 -134.54 153.0 52.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.7 tt -115.83 139.32 50.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.505 HG12 ' CG2' ' A' ' 29' ' ' VAL . 20.1 mt -120.65 153.1 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.449 ' N ' HG22 ' A' ' 68' ' ' ILE . 66.5 mt -140.44 118.18 8.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.571 0.701 . . . . 0.0 110.945 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -38.99 7.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -128.51 92.69 3.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.4 90.49 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -83.82 171.94 12.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.6 t -53.32 -38.75 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -63.87 -42.45 97.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.5 -30.22 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.2 p -57.94 135.87 56.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.3 172.84 23.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -78.31 128.28 33.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -107.4 126.94 53.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -119.09 148.59 42.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.5 t -123.09 80.54 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -76.88 108.13 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.88 -75.63 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -128.43 -49.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.23 -29.17 0.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.5 m -113.4 175.75 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.33 163.48 30.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.21 130.59 56.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -99.42 125.14 45.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -124.57 112.66 17.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.97 109.19 3.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.8 t -109.48 149.5 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 111.154 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.9 m -145.55 116.39 7.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.7 t -101.59 108.24 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -101.32 133.96 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -75.38 131.42 77.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.463 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.3 Cg_endo -69.75 148.55 65.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.9 m -51.66 139.82 20.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.33 169.37 28.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 136.15 32.22 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.332 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.8 p -144.31 127.71 16.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.0 p 44.58 42.35 5.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 m -136.91 117.89 14.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.2 t -49.81 162.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.04 -149.99 6.03 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.427 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -75.21 94.84 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -160.94 162.74 32.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.84 153.27 2.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.499 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 53.8 Cg_endo -69.7 -49.42 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.71 2.273 . . . . 0.0 112.364 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 p -146.29 131.6 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.522 ' CE1' ' OG ' ' A' ' 35' ' ' SER . 26.0 p-80 -130.63 131.66 45.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -73.62 129.26 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mt -89.26 -27.5 20.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.508 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 19.1 t -162.49 132.19 3.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.678 0.751 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.78 -168.99 4.77 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.364 -0.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -114.97 -34.07 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -134.34 -70.95 0.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -159.87 142.2 13.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.6 m -116.57 176.11 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.5 t -142.24 135.28 28.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 mt -144.34 155.04 43.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.3 m -136.73 138.91 41.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CE1' HG13 ' A' ' 28' ' ' VAL . 62.4 m-85 -145.84 164.15 32.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.9 m -102.83 150.59 23.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.151 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.5 m -54.87 141.55 32.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.196 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 m 69.63 48.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -140.17 175.02 9.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -97.5 123.71 41.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.497 HG13 ' CE1' ' A' ' 22' ' ' PHE . 67.1 t -125.19 118.27 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -130.41 125.47 59.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.455 ' O ' ' NE ' ' A' ' 66' ' ' ARG . 65.8 mt -86.39 -170.72 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.404 ' OG1' ' NH2' ' A' ' 66' ' ' ARG . 1.2 m -156.48 130.55 8.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -143.51 133.65 24.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -110.74 154.6 23.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.9 mt -135.28 171.17 14.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.522 ' OG ' ' CE1' ' A' ' 10' ' ' HIS . 23.2 t -100.57 -3.26 30.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 8' ' ' PRO . 18.3 mtt180 -121.36 134.46 55.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.424 HG22 ' NE ' ' A' ' 63' ' ' ARG . 19.3 t -89.68 145.99 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t70 53.12 51.45 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.523 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.5 t80 -111.31 140.42 22.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.667 0.746 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.67 159.2 54.38 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.73 2.286 . . . . 0.0 112.367 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -171.26 160.22 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.035 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.525 HG21 ' CE1' ' A' ' 44' ' ' TYR . 82.1 m -137.04 124.21 21.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -78.17 151.31 33.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.525 ' CE1' HG21 ' A' ' 42' ' ' THR . 73.9 m-85 -142.13 157.77 44.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 48' ' ' GLN . 17.7 tttm -133.4 133.61 42.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 41.31 25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . 88.88 31.88 11.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 45' ' ' LYS . 6.5 pt20 -144.4 122.17 11.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.931 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -47.57 147.82 1.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.4 m -101.29 145.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -102.54 104.54 14.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.31 125.34 15.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.936 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 t -155.33 -176.46 5.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.82 -29.84 60.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.4 mt -90.9 -7.76 51.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tt -134.47 103.93 5.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 t -105.38 128.24 59.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.9 t -118.1 117.69 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -99.63 142.4 31.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.501 ' HG3' ' CE1' ' A' ' 65' ' ' HIS . 1.6 ttt -130.46 106.06 8.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.85 103.41 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 41.7 -120.04 1.94 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.424 ' NE ' HG22 ' A' ' 37' ' ' VAL . 75.3 mtt180 -87.98 40.73 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 110.853 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -143.33 124.06 14.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.501 ' CE1' ' HG3' ' A' ' 60' ' ' MET . 25.4 m-70 -138.84 117.11 11.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.455 ' NE ' ' O ' ' A' ' 30' ' ' LEU . 5.2 ptm180 -133.04 170.7 14.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 tt -126.2 116.38 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.6 mt -96.43 148.46 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.058 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.9 mt -136.51 119.24 11.9 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.64 0.733 . . . . 0.0 110.95 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -36.48 10.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.739 2.293 . . . . 0.0 112.336 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -132.28 111.59 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.79 97.32 9.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -90.83 154.29 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.4 t -55.28 -17.7 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -83.39 -22.91 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.66 -14.15 59.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.7 p -68.12 102.21 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.63 -157.51 12.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -111.6 129.45 56.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.886 0.375 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -106.34 148.93 27.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -141.08 132.71 27.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.1 t -102.54 79.39 1.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -61.54 142.35 57.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 86' ' ' GLY . 13.5 t -156.36 165.12 37.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.64 76.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 84' ' ' THR . . . 153.71 -72.69 0.26 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.1 m -138.14 -179.06 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.39 149.73 38.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.39 165.97 10.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -133.75 134.03 42.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.456 ' CE1' ' HD3' ' A' ' 14' ' ' PRO . 83.5 m-85 -133.37 137.56 45.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -109.39 111.8 3.27 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.425 ' CG2' HD22 ' A' ' 30' ' ' LEU . 62.9 t -116.36 130.74 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 111.17 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 54.8 m -127.01 119.67 27.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.9 t -103.7 104.2 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -98.66 114.26 26.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -58.3 137.64 84.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.67 3.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.7 p -146.99 134.57 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.43 169.89 35.98 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 125.36 12.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.296 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.6 p -174.6 128.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.7 p -112.47 85.38 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.479 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 p -104.16 91.41 3.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.837 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 p -139.13 175.72 9.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.81 74.43 0.39 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.551 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -67.48 158.25 32.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.868 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -69.23 147.78 50.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.34 121.67 0.34 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.14 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.396 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.421 ' CG1' ' HB3' ' A' ' 85' ' ' GLU . 7.7 p -160.38 126.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -119.89 160.26 23.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.8 mt -85.16 143.21 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.115 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 mt -110.13 -33.16 6.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.52 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 60.2 p -147.43 131.94 8.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.658 0.742 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.4 Cg_endo -69.8 -171.47 6.69 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.36 -0.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -103.9 -34.91 8.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' LYS . 33.5 m-20 -146.27 161.98 39.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' ASP . 28.9 tttt -34.58 129.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.421 HG21 ' CD2' ' A' ' 91' ' ' PHE . 16.5 m -107.83 170.98 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.0 p -145.79 113.43 6.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mt -125.7 149.81 48.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.0 m -130.14 144.69 51.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -146.77 169.23 19.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.458 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 41.9 m -105.02 153.54 21.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 92.8 m -54.68 147.84 13.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 p 61.01 47.99 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.811 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -132.46 169.19 16.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -98.28 116.92 31.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.9 t -114.24 128.6 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.473 ' CG2' HG12 ' A' ' 68' ' ' ILE . 24.2 t -135.19 119.26 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.7 mt -85.41 -175.07 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.9 m -156.87 137.22 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 49.6 t -152.63 146.34 25.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -122.21 156.61 33.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.441 HD11 ' CD2' ' A' ' 65' ' ' HIS . 64.5 mt -133.92 173.73 11.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -105.96 24.84 11.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.455 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 25.9 mtp85 -152.61 132.61 13.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.439 HG11 ' N ' ' A' ' 38' ' ' ASP . 92.9 t -82.59 150.35 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.174 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.439 ' N ' HG11 ' A' ' 37' ' ' VAL . 72.2 m-20 46.59 46.32 14.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.516 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 18.8 t80 -100.2 139.22 20.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.81 146.14 58.98 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.334 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.96 164.31 20.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.422 HG23 ' CE1' ' A' ' 44' ' ' TYR . 97.8 m -147.74 143.92 27.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.406 ' N ' HG22 ' A' ' 42' ' ' THR . 60.5 m95 -92.97 153.91 18.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.556 ' CD2' ' HA ' ' A' ' 49' ' ' LYS . 87.4 m-85 -144.94 134.88 23.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.96 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -116.14 127.7 55.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.4 t0 52.03 41.05 29.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.61 39.59 98.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' LYS . 31.5 mt-30 -149.02 119.67 7.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.556 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 22.7 tttp -37.28 143.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.2 m -87.84 146.96 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -96.22 100.86 12.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -58.76 114.59 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.8 p -161.16 176.61 11.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.52 -39.2 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.35 -22.9 63.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.5 tt -129.07 106.27 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.7 t -102.01 125.8 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.4 t -112.74 120.08 61.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.428 ' HA ' ' NZ ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -100.48 150.14 22.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.7 ttp -139.47 109.25 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.86 100.83 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 43.79 -113.3 0.72 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.463 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -97.5 45.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -150.94 118.64 6.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.441 ' CD2' HD11 ' A' ' 34' ' ' LEU . 27.9 m-70 -125.48 109.61 12.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -120.93 152.38 38.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.415 HD22 ' C ' ' A' ' 67' ' ' LEU . 4.8 tt -114.8 123.3 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.473 HG12 ' CG2' ' A' ' 29' ' ' VAL . 12.5 mt -102.8 153.17 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.443 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 37.8 mt -139.49 118.97 9.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.631 0.729 . . . . 0.0 110.97 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -37.36 9.35 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.355 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -128.33 112.24 14.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.7 79.09 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.5 ptmm? -82.06 147.55 29.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.3 t -44.73 -27.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -74.17 -37.44 63.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 73' ' ' LYS . 33.7 m-20 -52.45 -31.98 37.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.9 p -57.59 141.69 47.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.74 173.35 20.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -77.3 125.56 29.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -107.4 125.5 51.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -113.31 131.25 56.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.8 t -109.71 85.81 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -77.57 128.49 34.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.91 -74.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.477 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 3.9 tp10 -120.43 -60.1 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -131.51 -25.89 0.76 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.7 m -113.43 177.79 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.136 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.48 159.08 27.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.538 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -106.18 137.41 44.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.077 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -107.56 120.56 42.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 89' ' ' ALA . 72.1 m-85 -115.06 113.7 24.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.38 101.17 2.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 94' ' ' THR . 98.4 t -100.51 147.04 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 111.153 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.454 ' N ' HG12 ' A' ' 93' ' ' VAL . 93.3 m -140.5 114.07 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.4 t -102.12 116.72 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -110.04 137.56 47.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -77.81 134.97 64.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.709 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.458 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.3 Cg_endo -69.85 140.16 41.66 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.238 . . . . 0.0 112.325 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 93.5 p -87.83 44.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -91.01 145.88 18.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -12.23 32.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.345 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.2 m -70.03 169.33 13.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.8 m -125.21 155.81 39.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.845 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -90.89 -47.5 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 p -71.15 91.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.82 73.52 0.73 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 m -76.11 177.02 7.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -125.92 88.7 2.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.89 124.46 1.81 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.536 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.4 p -145.77 146.31 19.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -147.9 128.04 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.513 ' CD1' ' C ' ' A' ' 88' ' ' SER . 20.3 mt -63.52 142.87 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 mt -107.63 -34.54 6.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.511 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 46.4 t -153.53 134.74 8.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.895 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.2 Cg_endo -69.76 167.71 70.08 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.34 -0.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -85.64 -34.8 21.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.17 174.34 12.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.5 tptt -45.57 130.96 8.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.455 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 16.2 m -109.55 178.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.9 p -143.32 119.14 10.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mt -137.08 149.86 47.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -134.89 146.83 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -142.86 175.62 9.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 55.8 m -111.28 142.47 43.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.4 m -46.24 147.22 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.9 m 61.95 50.18 4.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 23' ' ' THR . 28.7 mm-40 -136.92 167.49 21.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -94.1 120.24 34.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.3 t -114.77 117.31 55.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -129.57 107.64 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.7 mt -79.53 -175.92 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.1 m -151.88 139.05 19.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.0 t -146.07 146.08 30.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -124.56 153.12 42.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.6 mt -135.8 -178.64 5.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 m -109.25 -4.01 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -117.3 134.56 54.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.5 t -83.58 141.92 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t0 53.66 28.44 8.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 3.1 t80 -77.97 134.57 63.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.417 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.79 142.7 48.5 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.06 173.38 17.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.481 HG22 ' CZ ' ' A' ' 44' ' ' TYR . 77.7 m -154.49 137.69 15.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -84.51 156.93 21.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.491 ' CD2' ' HA ' ' A' ' 49' ' ' LYS . 93.2 m-85 -150.99 154.88 37.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' GLN . 19.2 tttt -130.48 144.32 51.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 40.18 24.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . 83.99 35.63 15.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 45' ' ' LYS . 7.5 pt20 -142.11 161.57 37.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.908 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.491 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 30.5 tttt -75.15 127.94 34.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.6 m -79.04 137.75 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -77.81 126.8 31.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -88.39 112.82 23.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 t -158.74 -174.96 5.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -55.02 -37.93 67.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.3 mt -74.15 -18.59 60.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 tt -132.19 103.8 6.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.4 t -102.06 129.67 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.9 t -119.71 111.24 32.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -99.67 145.63 27.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 ttt -136.7 113.23 10.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -127.92 120.82 28.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 39.61 -114.01 0.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.463 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.67 43.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.384 . . . . 0.0 110.857 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -146.79 116.79 7.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -116.08 138.94 50.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 ptt-85 -148.18 141.82 25.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 tt -106.03 122.07 45.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.2 mt -100.42 148.67 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 mt -137.05 119.53 11.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -36.18 11.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -140.92 105.73 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.01 97.07 5.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -85.58 160.95 19.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.7 t -55.28 -27.45 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -71.6 -38.49 70.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.12 -10.23 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -69.13 102.07 1.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.09 -171.06 39.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -92.68 137.04 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -114.32 139.42 49.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 89' ' ' ALA . 5.1 tt0 -129.53 144.13 51.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.4 t -117.89 82.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 84' ' ' THR . 19.1 ttt180 -83.96 146.55 27.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.517 ' HG1' ' N ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -131.83 -75.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.517 ' N ' ' HG1' ' A' ' 84' ' ' THR . 7.3 mt-10 -116.9 -66.48 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.59 -11.93 2.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.4 m -121.43 161.23 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.513 ' C ' ' CD1' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -153.09 167.89 27.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.843 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 81' ' ' GLU . . . -107.16 179.41 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.144 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -150.51 133.98 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.455 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 68.0 m-85 -140.93 130.7 24.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.01 90.95 1.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.4 t -93.87 133.47 34.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 111.148 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.1 m -136.99 124.21 21.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.3 t -105.58 129.3 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -124.83 113.96 18.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -60.63 133.82 91.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.623 0.725 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.44 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.1 Cg_endo -69.76 -173.52 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.1 m -126.27 82.7 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -64.52 -173.08 3.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -36.41 10.89 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.4 m -133.03 144.1 49.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.3 p -73.06 138.55 45.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.17 0 CA-C-O 120.812 0.255 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 p -154.87 128.28 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -126.88 139.45 53.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.696 ' CD1' HG23 ' A' ' 87' ' ' VAL . 56.6 mt -69.98 144.22 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.512 HD12 ' HG2' ' A' ' 33' ' ' GLU . 6.5 mt -106.65 -34.17 7.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.543 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 1.8 m -156.2 140.62 11.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.69 0.757 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.4 Cg_endo -69.8 176.04 34.29 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.352 -0.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -92.88 -33.84 14.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.89 178.58 7.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.427 ' HE3' ' CD ' ' A' ' 79' ' ' GLU . 14.7 tptm -53.73 131.51 39.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 91' ' ' PHE . 17.9 m -111.99 168.89 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 t -139.41 130.81 26.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mt -137.59 150.58 47.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.9 m -137.99 131.71 31.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.631 ' CG ' HG22 ' A' ' 28' ' ' VAL . 77.4 m-85 -132.12 171.41 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.456 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 55.7 m -110.73 142.79 42.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 84.4 m -47.29 147.69 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 p 65.45 40.22 4.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 23' ' ' THR . 44.6 mm-40 -133.52 174.13 10.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -99.44 127.91 45.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.631 HG22 ' CG ' ' A' ' 22' ' ' PHE . 93.3 t -122.29 114.2 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.45 117.44 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.2 mt -85.42 -174.91 5.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.2 m -153.32 140.28 19.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.5 t -157.48 138.83 13.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.512 ' HG2' HD12 ' A' ' 12' ' ' LEU . 32.5 tt0 -116.56 154.97 29.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.9 mt -132.12 176.42 8.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.2 p -109.54 16.75 22.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.474 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 27.0 mtp85 -143.54 126.12 15.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.489 HG13 ' HA2' ' A' ' 62' ' ' GLY . 88.3 t -82.12 144.31 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 57.66 45.44 19.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.531 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.4 t80 -106.27 140.55 21.39 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.79 162.17 43.1 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.74 155.76 2.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.8 m -131.72 125.06 31.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CG ' HD23 ' A' ' 67' ' ' LEU . 83.2 m95 -79.19 140.76 37.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -131.82 134.79 46.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -117.02 128.41 55.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 t70 49.86 31.97 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.38 28.82 59.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -145.39 129.59 17.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.917 0.389 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HD2' ' C ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -42.59 149.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.6 m -92.36 138.92 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -88.69 89.73 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HA ' HD23 ' A' ' 56' ' ' LEU . 4.8 mt-10 -54.12 130.05 36.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -171.26 -175.06 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -56.13 -29.54 60.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.434 ' O ' HD23 ' A' ' 69' ' ' LEU . 96.0 mt -85.76 -7.03 59.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.914 HD12 HD21 ' A' ' 69' ' ' LEU . 5.0 tp -134.56 108.98 8.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.654 HG12 ' HD3' ' A' ' 59' ' ' LYS . 6.3 t -104.18 125.64 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.575 HG22 ' CD2' ' A' ' 67' ' ' LEU . 63.7 t -113.84 108.66 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.654 ' HD3' HG12 ' A' ' 57' ' ' VAL . 4.9 mmmm -99.09 135.2 40.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.8 ttt -122.06 142.3 50.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -150.43 154.88 38.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.489 ' HA2' HG13 ' A' ' 37' ' ' VAL . . . -40.8 105.27 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.425 ' HG3' ' CG2' ' A' ' 37' ' ' VAL . 97.4 mtt180 56.02 41.81 29.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -158.6 117.45 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -130.02 134.91 47.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -145.17 151.64 38.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.575 ' CD2' HG22 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -110.9 119.4 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.584 HD12 ' CG ' ' A' ' 59' ' ' LYS . 9.3 mt -103.71 149.49 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.914 HD21 HD12 ' A' ' 56' ' ' LEU . 36.0 mt -140.73 119.33 8.27 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.599 0.714 . . . . 0.0 110.933 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -36.56 10.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.728 2.285 . . . . 0.0 112.344 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -133.92 97.05 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.521 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -74.01 91.92 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -83.26 155.72 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.4 t -47.29 -24.54 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -77.36 -37.31 52.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -58.16 -16.39 13.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.2 p -67.04 126.32 28.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 165.05 -168.34 39.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.473 ' OE2' ' N ' ' A' ' 91' ' ' PHE . 45.7 tp10 -99.51 130.63 45.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.371 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -106.31 150.77 25.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.484 ' CG ' ' HB3' ' A' ' 88' ' ' SER . 8.1 tt0 -150.56 129.85 12.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 40.6 t -93.66 73.36 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -50.12 138.99 15.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.812 HG22 ' O ' ' A' ' 87' ' ' VAL . 12.8 t -154.9 171.06 20.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.31 70.66 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 164.82 -67.12 0.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.812 ' O ' HG22 ' A' ' 84' ' ' THR . 34.2 m -144.43 177.64 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.484 ' HB3' ' CG ' ' A' ' 81' ' ' GLU . 0.7 OUTLIER -137.2 152.94 50.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.8 163.66 12.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.079 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -130.31 120.23 24.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.476 ' HA ' HG22 ' A' ' 18' ' ' VAL . 86.8 m-85 -125.61 113.83 17.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.13 123.94 6.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -125.68 140.51 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 111.11 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.2 m -141.22 114.24 8.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.521 HG11 ' O ' ' A' ' 72' ' ' ALA . 22.0 t -97.3 100.67 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -97.66 123.67 41.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -72.59 137.34 80.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.456 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.318 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.123 0 CA-C-O 120.827 0.261 . . . . 0.0 112.387 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.47 HG11 ' CE2' ' A' ' 39' ' ' PHE . 6.9 p -160.77 120.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -112.52 135.03 53.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.524 HD12 HG23 ' A' ' 87' ' ' VAL . 33.2 mt -72.18 138.93 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.741 HD12 ' HG2' ' A' ' 33' ' ' GLU . 2.1 mt -99.4 -33.2 10.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.549 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 43.4 t -157.03 142.77 12.74 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.733 . . . . 0.0 110.9 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.82 168.25 68.33 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.317 0.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -85.21 -25.36 27.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -155.8 -177.06 6.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -55.68 131.89 47.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.454 HG22 ' HA ' ' A' ' 91' ' ' PHE . 29.5 m -110.49 167.93 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.7 p -135.69 126.13 26.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mt -134.38 158.9 42.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.1 m -141.5 145.63 35.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -151.31 173.38 14.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.491 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 85.6 m -111.79 144.61 40.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.143 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -45.13 142.62 1.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.0 m 63.22 48.69 3.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 23' ' ' THR . 33.0 mm-40 -127.59 177.46 6.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 ttt85 -106.44 118.11 35.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.4 t -115.33 136.24 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.703 HG22 HG12 ' A' ' 68' ' ' ILE . 34.5 t -141.06 111.99 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.0 mt -85.67 -175.63 5.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.6 m -156.63 143.55 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.2 t -156.08 139.99 16.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.741 ' HG2' HD12 ' A' ' 12' ' ' LEU . 20.4 tt0 -116.22 151.02 36.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.1 mt -128.53 172.76 10.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.7 t -95.87 -10.14 29.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -121.69 138.01 54.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.61 HG22 ' HG2' ' A' ' 63' ' ' ARG . 61.3 t -84.3 141.15 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 54.75 46.34 24.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 3.2 t80 -96.73 140.57 22.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.707 0.765 . . . . 0.0 110.827 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.559 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.8 147.76 63.33 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.642 2.228 . . . . 0.0 112.328 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.52 -177.6 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.0 m -155.99 142.67 18.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -96.64 135.54 38.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.485 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 87.9 m-85 -128.7 145.67 51.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -128.81 128.22 43.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 t0 53.52 26.47 5.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.47 28.3 55.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.462 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -139.34 126.6 21.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.485 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 40.7 tttm -47.37 128.29 11.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.4 m -74.79 146.17 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.173 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -100.7 108.97 20.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HA ' HD23 ' A' ' 56' ' ' LEU . 10.6 mt-10 -67.66 129.03 38.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.0 p -160.96 -175.6 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -58.42 -18.01 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.9 mt -97.05 -9.03 28.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.859 HD12 HD21 ' A' ' 69' ' ' LEU . 5.2 tp -129.92 109.82 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 t -106.2 126.14 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.0 t -118.99 121.6 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -105.72 134.54 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.5 ttt -126.35 107.17 10.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.07 111.01 12.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.46 ' CA ' HG13 ' A' ' 37' ' ' VAL . . . 47.82 -131.18 17.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.61 ' HG2' HG22 ' A' ' 37' ' ' VAL . 6.2 ptt-85 -91.13 41.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.923 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -139.58 114.63 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -117.92 122.82 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -137.68 148.44 45.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.716 HD23 ' N ' ' A' ' 68' ' ' ILE . 3.3 tt -113.6 135.17 54.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.716 ' N ' HD23 ' A' ' 67' ' ' LEU . 15.7 mt -117.27 153.88 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.859 HD21 HD12 ' A' ' 56' ' ' LEU . 72.9 mt -140.73 118.57 8.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.531 0.681 . . . . 0.0 110.955 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -38.98 6.92 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -134.44 88.15 2.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.19 106.37 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -92.09 -176.35 4.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.6 t -75.55 -32.41 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -72.96 -20.13 61.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.36 -13.01 59.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.4 p -69.36 119.93 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.59 -179.34 43.39 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.32 132.29 34.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -106.39 147.68 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -140.72 132.29 27.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 47.6 t -105.21 78.25 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -59.24 144.01 47.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.874 HG22 ' O ' ' A' ' 87' ' ' VAL . 13.7 t -153.09 175.72 12.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -74.67 61.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.58 -68.33 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.874 ' O ' HG22 ' A' ' 84' ' ' THR . 18.3 m -139.94 -178.52 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.88 160.18 40.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.16 175.62 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.083 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -147.77 120.25 8.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.454 ' HA ' HG22 ' A' ' 18' ' ' VAL . 75.6 m-85 -127.76 124.99 39.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.33 126.14 8.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.5 t -127.42 133.99 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 111.173 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.489 HG22 ' HG3' ' A' ' 96' ' ' GLN . 54.3 m -132.83 104.9 6.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.8 t -90.97 97.01 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.489 ' HG3' HG22 ' A' ' 94' ' ' THR . 13.5 mt-30 -91.53 123.61 35.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -65.27 141.18 98.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.568 0.699 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.444 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.15 0 C-N-CA 122.688 2.259 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.835 0.265 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 9' ' ' VAL . 14.8 p -172.16 124.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -130.07 128.29 41.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.2 mt -48.07 147.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.491 HD12 ' HG2' ' A' ' 33' ' ' GLU . 5.0 mt -114.65 -34.83 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.501 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 66.1 m -153.07 127.65 4.65 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.654 0.74 . . . . 0.0 110.844 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.7 Cg_endo -69.75 -175.72 11.39 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.338 -0.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -97.42 -37.26 10.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -142.68 172.79 12.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.4 131.92 13.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.445 HG22 ' HA ' ' A' ' 91' ' ' PHE . 31.7 m -112.39 168.94 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -136.56 131.94 34.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mt -142.87 169.05 18.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m -143.15 144.34 32.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CD2' HG22 ' A' ' 28' ' ' VAL . 39.8 m-85 -139.25 173.18 11.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.482 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 59.5 m -112.98 143.9 43.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.0 m -46.88 146.13 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.4 p 62.07 48.16 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 23' ' ' THR . 7.9 mm-40 -133.21 176.28 8.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -102.55 116.7 33.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.484 HG22 ' CD2' ' A' ' 22' ' ' PHE . 82.7 t -110.69 115.14 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 p -130.87 120.44 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.18 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.6 mt -92.65 -174.99 3.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.5 m -155.21 135.67 13.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.7 t -142.62 144.68 32.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.491 ' HG2' HD12 ' A' ' 12' ' ' LEU . 38.8 tt0 -119.8 150.26 40.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.659 HD21 HG21 ' A' ' 84' ' ' THR . 40.3 mt -131.25 171.95 12.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.1 t -110.13 31.18 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -160.44 115.33 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.654 HG22 ' HG2' ' A' ' 63' ' ' ARG . 94.3 t -72.3 143.57 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.43 42.42 8.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.531 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 9.7 t80 -103.75 139.88 20.53 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.64 0.733 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.79 151.78 68.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 2.24 . . . . 0.0 112.327 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.71 170.3 17.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.4 m -151.3 142.33 23.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -95.38 134.23 38.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -129.04 130.56 46.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -117.91 127.42 53.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.5 t0 51.02 38.25 20.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.72 36.63 91.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -148.69 122.9 9.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -45.48 144.8 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 m -95.2 149.72 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 mp0 -100.27 135.48 41.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -85.79 118.36 25.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.2 p -160.08 175.26 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -51.21 -33.32 27.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.8 mt -77.83 -21.1 51.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.41 HD21 HD11 ' A' ' 67' ' ' LEU . 2.7 tt -127.05 107.54 10.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.7 t -102.0 131.97 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.1 t -126.13 119.92 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -100.85 156.13 17.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.7 ttp -143.49 115.07 8.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -132.09 105.45 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.611 ' CA ' HG13 ' A' ' 37' ' ' VAL . . . 43.39 -101.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.654 ' HG2' HG22 ' A' ' 37' ' ' VAL . 7.4 ptt180 -113.71 38.48 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -138.75 109.41 6.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -113.42 138.05 50.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -150.91 147.94 27.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.41 HD11 HD21 ' A' ' 56' ' ' LEU . 4.6 tt -111.29 122.08 46.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.5 mt -103.4 147.82 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.0 mt -134.81 119.69 13.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.728 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -36.87 10.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.7 2.267 . . . . 0.0 112.348 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -132.92 115.54 15.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.409 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -86.16 98.84 11.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.058 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -91.76 149.05 21.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.0 t -48.42 -32.85 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -65.76 -39.24 90.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -62.15 -8.84 6.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.8 m -66.66 99.19 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.95 -177.28 42.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -85.97 136.1 33.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.895 0.379 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -109.33 124.34 50.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -110.78 144.42 39.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.8 t -127.13 96.21 4.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -85.67 145.49 27.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.659 HG21 HD21 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -132.32 -75.49 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.542 ' H ' HG23 ' A' ' 84' ' ' THR . 16.1 tm-20 -116.54 -68.87 0.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.99 -20.51 2.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.6 m -116.15 176.47 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 0.0 111.1 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -157.56 153.0 26.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.69 136.56 41.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -108.51 124.27 50.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.445 ' HA ' HG22 ' A' ' 18' ' ' VAL . 42.9 m-85 -120.27 115.1 22.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.91 118.08 5.56 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.2 t -121.84 124.73 72.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 53.2 m -135.99 112.95 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 73.1 t -96.64 116.76 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -109.38 127.37 54.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -68.86 134.55 90.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.431 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.804 0.252 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 85' ' ' GLU . 9.5 p -155.15 127.28 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.471 ' CD2' ' HB2' ' A' ' 35' ' ' SER . 2.2 p-80 -124.16 161.76 25.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.63 HD13 ' HB2' ' A' ' 89' ' ' ALA . 75.0 mt -88.71 139.77 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.46 HD12 ' HG2' ' A' ' 33' ' ' GLU . 4.8 mt -102.71 -38.65 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.525 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 2.5 t -148.21 133.18 9.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.66 0.743 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.2 Cg_endo -69.75 -168.35 4.34 Favored 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.743 -1.774 . . . . 0.0 112.322 -0.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -111.93 -22.03 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -156.95 179.09 9.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -49.0 133.56 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 34.6 m -115.54 -175.33 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.411 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 1.7 t -151.94 138.87 19.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.411 ' HG ' ' C ' ' A' ' 19' ' ' SER . 5.9 mt -147.67 156.36 42.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 25.4 m -139.16 147.62 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 21' ' ' THR . 46.6 m-85 -151.21 173.1 14.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.495 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 30.1 m -111.13 140.02 46.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.455 ' HB ' ' CD ' ' A' ' 98' ' ' PRO . 96.3 m -44.69 146.98 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m 62.85 44.47 6.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 23' ' ' THR . 16.0 mm-40 -128.24 179.24 5.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -106.31 113.82 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 72' ' ' ALA . 80.9 t -109.24 133.25 55.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.817 HG13 HG13 ' A' ' 68' ' ' ILE . 24.1 t -140.64 112.05 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.6 mt -78.79 -175.81 4.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.0 m -157.2 145.75 19.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.9 t -162.31 155.33 20.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.46 ' HG2' HD12 ' A' ' 12' ' ' LEU . 17.8 tt0 -130.92 153.99 48.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.8 mt -127.37 172.37 10.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.471 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 3.4 t -93.0 -17.69 23.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.462 ' HG2' HG23 ' A' ' 9' ' ' VAL . 51.5 mmt-85 -123.64 139.42 54.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.507 HG22 ' H ' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -85.24 175.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.507 ' H ' HG22 ' A' ' 37' ' ' VAL . 36.1 t70 35.54 38.44 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.543 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 5.2 t80 -101.99 140.37 21.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.85 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.543 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.76 161.2 46.86 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.307 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.98 156.01 3.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.9 m -132.25 134.16 44.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -89.09 133.45 34.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -123.43 145.8 48.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.005 0.431 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -130.37 127.33 39.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.934 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 46.08 32.31 1.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.56 31.78 39.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -144.43 120.05 10.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -53.71 137.53 37.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.3 m -90.11 147.6 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -110.38 114.05 27.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -50.14 129.64 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 p -157.2 -176.33 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.26 -33.25 74.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.575 ' O ' HD23 ' A' ' 69' ' ' LEU . 38.5 mt -89.37 -1.6 58.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.604 HD21 HD11 ' A' ' 67' ' ' LEU . 3.6 tt -139.57 106.14 5.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 t -104.27 130.44 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.519 HG22 ' HG ' ' A' ' 67' ' ' LEU . 89.8 t -121.35 111.87 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -99.28 158.21 15.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.9 ttp -147.58 115.17 6.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -112.02 45.65 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.47 ' HA3' HG22 ' A' ' 37' ' ' VAL . . . 80.64 -88.68 1.32 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.448 ' HG2' ' C ' ' A' ' 36' ' ' ARG . 52.3 mtm180 -99.69 25.09 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.852 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -141.84 124.1 15.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -126.26 113.05 16.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -129.76 141.83 50.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.604 HD11 HD21 ' A' ' 56' ' ' LEU . 2.6 tt -107.4 121.99 45.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.817 HG13 HG13 ' A' ' 29' ' ' VAL . 12.7 mt -99.41 153.7 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 55' ' ' LEU . 30.3 mt -140.3 119.32 8.6 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.622 0.725 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -38.18 8.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -134.42 100.94 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.498 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -84.13 103.48 13.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -99.17 169.37 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.3 t -52.8 -32.34 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -69.36 -38.91 78.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -24.68 62.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.2 p -60.25 116.04 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 179.19 -177.16 48.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -97.74 128.47 44.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -107.16 155.95 19.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.451 ' C ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -151.0 140.0 21.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 39.3 t -106.23 83.56 1.91 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.405 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 13.4 ttt180 -64.68 134.07 53.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 87' ' ' VAL . 15.3 t -145.41 173.17 12.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.507 ' O ' HG12 ' A' ' 9' ' ' VAL . 1.1 tm-20 -72.21 68.54 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.06 -66.59 0.21 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.447 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.703 ' O ' HG22 ' A' ' 84' ' ' THR . 22.4 m -142.63 -177.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 111.086 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.78 148.8 37.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.63 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -101.55 166.16 10.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -136.26 123.22 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.467 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 83.7 m-85 -124.71 124.07 41.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.42 115.87 5.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.532 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.1 t -114.54 149.68 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.5 m -145.09 115.15 7.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.1 t -102.54 97.96 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -83.73 125.42 31.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -67.4 130.67 93.35 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.569 0.699 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.455 ' CD ' ' HB ' ' A' ' 24' ' ' THR . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.166 0 C-N-CA 122.697 2.264 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.421 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.83 0.262 . . . . 0.0 112.365 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 p -165.47 130.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -126.53 163.84 22.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 33' ' ' GLU . 30.8 mt -90.42 138.76 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.602 HD12 ' OE2' ' A' ' 33' ' ' GLU . 2.7 mt -104.78 -33.91 8.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.513 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 40.9 t -153.23 130.52 5.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.702 0.763 . . . . 0.0 110.823 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.9 Cg_endo -69.72 179.71 21.46 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.345 -0.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -100.14 -34.93 9.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -142.68 174.21 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 18.5 tptm -44.14 146.44 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 18.1 m -125.4 -179.92 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.5 p -150.97 119.07 6.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mt -130.78 156.43 44.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.435 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 19.7 m -140.07 155.04 47.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.452 ' CG ' HG22 ' A' ' 28' ' ' VAL . 78.0 m-85 -158.08 174.37 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.441 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 33.5 m -110.08 143.52 40.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.9 m -47.15 146.27 1.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 m 63.46 46.43 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 23' ' ' THR . 5.8 mm-40 -130.68 178.43 6.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.483 HH12 HG21 ' A' ' 29' ' ' VAL . 36.3 ttt-85 -106.1 116.75 32.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.452 HG22 ' CG ' ' A' ' 22' ' ' PHE . 84.5 t -114.44 128.52 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.624 HG13 ' CG1' ' A' ' 68' ' ' ILE . 28.3 t -133.49 124.4 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.9 mt -94.08 -177.1 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.1 m -158.3 142.25 15.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.8 t -150.54 158.03 43.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.602 ' OE2' HD12 ' A' ' 12' ' ' LEU . 32.7 tt0 -136.69 148.05 47.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.2 mt -126.29 172.57 9.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.7 p -87.45 -25.11 23.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.421 ' CZ ' ' O ' ' A' ' 8' ' ' PRO . 18.0 mtm180 -114.65 145.37 42.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.576 HG22 ' CA ' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -93.28 157.86 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t70 51.03 46.02 26.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.516 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 11.9 t80 -108.14 139.58 20.84 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.733 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.78 152.37 69.2 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.16 172.3 16.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.5 m -142.54 129.48 20.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.401 ' O ' HG22 ' A' ' 50' ' ' VAL . 76.8 m95 -88.67 125.79 35.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -119.06 139.23 52.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.932 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -126.89 132.05 51.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 t0 50.65 34.71 10.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.849 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.75 37.27 92.25 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -153.34 127.21 8.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -43.36 139.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 43' ' ' TRP . 31.5 m -84.73 155.72 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -105.69 107.09 17.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.03 117.54 6.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.7 t -159.11 -177.05 6.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -58.64 -33.72 70.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.4 mt -79.11 -14.59 59.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.45 HD21 HD21 ' A' ' 67' ' ' LEU . 5.8 tt -131.62 107.38 8.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.2 t -103.28 127.97 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.528 HG22 ' CD2' ' A' ' 67' ' ' LEU . 17.1 t -116.13 102.91 14.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -100.45 147.57 25.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -143.7 132.89 23.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -126.11 81.4 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.576 ' CA ' HG22 ' A' ' 37' ' ' VAL . . . 63.79 -84.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.02 34.08 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -139.84 112.72 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -111.65 126.39 54.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -137.04 144.68 43.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.528 ' CD2' HG22 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -110.82 116.85 31.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.624 ' CG1' HG13 ' A' ' 29' ' ' VAL . 50.7 mt -101.17 150.42 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.7 mt -138.04 118.69 10.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.722 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -38.4 7.99 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.384 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -135.06 93.81 3.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.93 101.06 5.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -95.56 166.86 11.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.4 t -54.74 -23.99 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -77.71 -26.85 50.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.77 -23.91 62.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 p -57.52 103.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.63 -179.79 41.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -98.84 133.13 43.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -107.35 153.8 22.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -148.79 129.37 14.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.9 t -98.67 82.99 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -64.23 131.64 47.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.767 HG22 ' O ' ' A' ' 87' ' ' VAL . 14.2 t -142.85 175.01 10.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -72.12 72.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 158.05 -67.38 0.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.767 ' O ' HG22 ' A' ' 84' ' ' THR . 29.6 m -141.46 -177.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 111.119 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.22 153.22 43.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.43 172.44 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.408 ' O ' HG22 ' A' ' 18' ' ' VAL . 57.0 m-85 -142.14 124.6 15.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.447 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 92.7 m-85 -127.77 115.22 18.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.74 114.92 4.63 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.96 131.35 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.0 m -126.9 121.85 32.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.6 t -104.67 99.69 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -87.1 125.54 34.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -68.24 133.0 91.5 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 -179.943 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.83 0.262 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.771 HG11 ' CE2' ' A' ' 39' ' ' PHE . 4.6 p -149.7 128.45 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -128.95 134.51 48.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.739 HD12 HG23 ' A' ' 87' ' ' VAL . 29.1 mt -67.7 144.86 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt -110.8 -31.59 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.53 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 14.9 m -154.5 135.65 8.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.664 0.745 . . . . 0.0 110.819 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.8 Cg_endo -69.74 177.26 29.42 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.336 -0.013 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -92.53 -35.29 13.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -147.61 177.8 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -45.34 130.47 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 33.3 m -110.86 -178.12 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 t -152.57 134.05 14.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -143.2 158.4 43.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.7 m -138.63 152.83 48.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -155.55 171.01 20.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 35.1 m -107.11 149.68 27.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.8 m -49.53 144.31 5.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 m 62.66 47.36 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 23' ' ' THR . 6.2 mm-40 -126.8 174.24 8.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.0 ttt85 -103.51 121.81 43.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.2 t -116.82 133.36 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.692 HG13 HG13 ' A' ' 68' ' ' ILE . 24.7 t -140.44 109.81 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -78.14 -175.08 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.547 ' O ' ' CZ ' ' A' ' 91' ' ' PHE . 28.7 m -160.15 145.81 15.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.7 t -155.02 152.17 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -127.96 150.9 49.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 27.2 mt -134.07 169.82 16.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 t -104.14 34.84 2.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -161.21 118.94 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.509 HG22 ' HG2' ' A' ' 63' ' ' ARG . 41.3 t -73.72 146.23 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 t70 55.34 49.59 16.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.771 ' CE2' HG11 ' A' ' 9' ' ' VAL . 3.4 t80 -108.12 140.61 21.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.662 0.744 . . . . 0.0 110.89 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.0 Cg_endo -69.77 156.04 64.33 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.69 149.94 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.5 m -127.97 130.54 48.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.536 ' CD1' HG21 ' A' ' 58' ' ' VAL . 68.5 m95 -84.1 134.2 34.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -125.9 143.82 50.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.988 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -132.21 127.86 36.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 t0 51.2 36.27 15.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.59 35.9 75.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.434 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -149.06 118.53 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -46.3 139.25 4.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 m -91.3 143.68 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -104.76 104.71 14.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.481 ' CD ' HG12 ' A' ' 58' ' ' VAL . 25.5 mt-10 -51.9 112.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.6 p -140.81 -175.39 4.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.2 -32.41 71.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.3 mt -88.04 -13.33 41.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.951 HD21 HD11 ' A' ' 67' ' ' LEU . 4.8 tt -132.87 99.64 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' ILE . 59.6 t -101.89 151.49 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.536 HG21 ' CD1' ' A' ' 43' ' ' TRP . 3.4 p -154.61 125.29 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -104.44 166.25 10.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 ttp -145.08 105.11 4.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.8 t70 -107.1 102.15 11.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 47.98 -93.21 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.509 ' HG2' HG22 ' A' ' 37' ' ' VAL . 14.5 ptt180 -117.54 37.46 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -139.4 116.65 11.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -112.25 139.13 48.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -151.54 141.69 22.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.951 HD11 HD21 ' A' ' 56' ' ' LEU . 5.7 tt -109.96 121.73 45.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.692 HG13 HG13 ' A' ' 29' ' ' VAL . 26.3 mt -98.23 157.2 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.509 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 43.7 mt -143.98 119.15 6.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -39.84 5.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.656 2.237 . . . . 0.0 112.333 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -134.47 103.17 5.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.83 96.84 5.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.88 153.5 21.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.2 t -47.76 -29.54 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -76.9 -32.1 57.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -61.85 -21.96 65.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.0 p -64.37 125.96 26.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.9 -152.91 13.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -116.48 130.8 56.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.604 ' CE2' HD13 ' A' ' 67' ' ' LEU . 25.1 m-85 -106.36 154.13 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -148.03 130.27 15.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 11.8 t -99.38 74.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -58.17 134.34 56.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 87' ' ' VAL . 14.9 t -150.82 166.06 31.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.485 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -66.42 76.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.27 -72.03 0.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.739 HG23 HD12 ' A' ' 11' ' ' ILE . 30.8 m -137.59 175.9 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 111.109 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.4 147.64 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.16 179.75 4.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -151.13 127.65 10.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.547 ' CZ ' ' O ' ' A' ' 31' ' ' THR . 81.7 m-85 -128.1 119.03 24.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.54 120.36 5.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.4 t -120.85 143.87 31.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 0.0 111.111 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.2 m -140.87 112.69 7.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.5 t -98.48 112.75 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -107.14 126.16 52.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -66.41 138.91 95.96 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.594 0.711 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.451 ' HD3' HG22 ' A' ' 23' ' ' THR . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.357 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.856 0.273 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.407 ' CG1' ' HB2' ' A' ' 85' ' ' GLU . 7.3 p -164.68 134.59 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -135.51 130.94 35.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 89' ' ' ALA . 97.6 mt -52.91 150.25 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.469 HD12 ' HG2' ' A' ' 33' ' ' GLU . 6.2 mt -114.69 -35.28 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 1.6 t -149.24 132.73 8.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.741 . . . . 0.0 110.831 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.81 178.89 24.01 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.345 -0.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -96.59 -38.06 10.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' LYS . 2.0 p30 -140.54 164.07 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ASP . 29.5 tttt -35.43 130.01 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.532 HG22 ' HA ' ' A' ' 91' ' ' PHE . 14.2 m -109.66 155.8 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -125.63 126.99 45.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.7 mt -139.87 155.63 47.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -140.55 134.75 31.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.518 ' CG ' HG22 ' A' ' 28' ' ' VAL . 83.1 m-85 -134.01 165.39 25.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.434 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 89.1 m -103.57 150.8 23.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.168 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.8 m -52.16 144.6 12.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.8 m 64.07 49.88 2.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -135.71 178.43 7.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -103.24 116.24 32.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.518 HG22 ' CG ' ' A' ' 22' ' ' PHE . 87.9 t -110.52 112.58 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 p -127.87 122.61 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.7 mt -92.37 -174.79 3.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.6 m -153.57 135.54 14.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.0 t -146.69 141.59 26.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' HG2' HD12 ' A' ' 12' ' ' LEU . 14.9 tt0 -123.35 153.25 40.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.2 mt -129.91 171.62 12.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.3 p -89.4 -28.86 19.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -101.25 145.74 28.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.679 HG22 ' HG2' ' A' ' 63' ' ' ARG . 95.3 t -96.11 141.87 14.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.488 ' CG ' HG12 ' A' ' 37' ' ' VAL . 29.2 m-20 62.31 36.26 14.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.513 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 16.2 t80 -94.31 139.5 22.47 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.642 0.735 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.513 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.2 Cg_endo -69.78 149.52 66.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.622 2.215 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.42 174.7 13.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.5 m -149.75 144.6 26.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -97.51 125.59 42.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -122.86 136.86 55.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -123.28 132.7 54.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t70 46.79 37.97 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.39 40.15 97.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -150.73 124.16 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -47.38 140.76 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.4 m -88.94 152.46 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -107.63 98.52 8.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 mp0 -51.49 124.26 11.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 56' ' ' LEU . 24.0 p -162.18 174.43 12.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -49.28 -38.19 26.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 69' ' ' LEU . 97.3 mt -74.52 -21.8 59.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.591 ' HG ' HD21 ' A' ' 67' ' ' LEU . 5.9 tt -129.42 106.93 9.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.5 t -101.73 130.96 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.9 t -121.86 108.93 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -99.15 146.82 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.474 ' HG2' ' N ' ' A' ' 61' ' ' ASP . 2.4 ttt -124.45 147.65 48.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.474 ' N ' ' HG2' ' A' ' 60' ' ' MET . 4.8 m-20 -161.07 152.42 19.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 63' ' ' ARG . . . -35.14 121.64 0.49 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.679 ' HG2' HG22 ' A' ' 37' ' ' VAL . 2.6 ptp180 33.94 42.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.863 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -156.27 115.4 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -128.99 141.37 51.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -154.2 152.36 30.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.591 HD21 ' HG ' ' A' ' 56' ' ' LEU . 3.5 tt -113.66 126.2 55.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 69' ' ' LEU . 14.3 mt -103.61 152.3 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 55' ' ' LEU . 18.2 mt -139.99 119.42 8.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.719 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -39.4 6.52 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.632 2.221 . . . . 0.0 112.334 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -131.51 120.48 23.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.443 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -88.44 99.0 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' ASP . 12.2 pttm -94.82 146.35 24.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.933 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.9 t -42.21 -32.84 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -68.65 -38.23 80.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' LYS . 21.0 m-20 -52.56 -31.93 38.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.2 p -55.19 119.76 6.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.18 175.63 39.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -80.46 126.75 31.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -106.42 131.65 53.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 90' ' ' PHE . 5.6 tt0 -121.36 138.34 54.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 34.9 t -119.27 82.36 1.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -74.34 144.41 44.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.524 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -128.43 -75.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.524 ' H ' HG23 ' A' ' 84' ' ' THR . 0.9 OUTLIER -117.12 -65.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.21 -17.64 1.77 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.27 174.01 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.82 150.11 17.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.836 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.642 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -102.91 136.32 42.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 81' ' ' GLU . 3.4 m-85 -102.08 135.83 42.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.532 ' HA ' HG22 ' A' ' 18' ' ' VAL . 50.8 m-85 -126.95 113.78 16.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -84.07 110.16 3.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.438 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 84.1 t -112.51 145.09 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.4 m -142.28 112.31 6.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.9 t -95.28 111.58 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -104.83 128.79 53.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -73.56 134.91 78.81 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.635 0.731 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.434 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.808 0.253 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.513 HG11 ' CE2' ' A' ' 39' ' ' PHE . 6.3 p -158.73 138.56 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -136.82 147.32 46.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.455 ' H ' HG21 ' A' ' 87' ' ' VAL . 70.2 mt -73.93 145.81 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.522 HD12 ' CD ' ' A' ' 33' ' ' GLU . 3.4 mt -109.36 -33.48 6.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.538 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 47.6 t -155.47 136.68 9.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.75 -178.11 16.0 Favored 'Cis proline' 0 C--O 1.231 0.15 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.322 -0.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -97.31 -34.72 10.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -145.04 167.43 22.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -40.22 131.66 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 91' ' ' PHE . 21.5 m -108.54 -179.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 t -144.68 132.03 20.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mt -144.44 158.14 43.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.6 m -143.1 140.48 30.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -141.73 175.16 9.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.2 m -108.11 145.13 34.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.9 m -51.4 140.55 17.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.4 m 69.32 48.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -133.07 163.62 28.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -94.75 114.74 26.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.3 t -108.17 143.65 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.803 HG22 HG12 ' A' ' 68' ' ' ILE . 59.8 t -145.52 105.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.5 mt -75.83 -174.97 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 m -161.34 136.37 7.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.4 t -151.98 146.98 26.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.522 ' CD ' HD12 ' A' ' 12' ' ' LEU . 50.9 tt0 -118.7 153.04 35.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.0 mt -135.13 175.31 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 t -107.48 32.14 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.441 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 26.0 mtp85 -159.32 121.53 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.632 HG13 ' HA2' ' A' ' 62' ' ' GLY . 25.5 t -75.72 144.2 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 50.16 51.56 16.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.529 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 10.5 t80 -104.21 139.66 20.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.79 142.73 48.59 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.657 2.238 . . . . 0.0 112.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.94 170.54 21.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.6 m -146.72 113.17 5.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -70.51 135.65 48.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 63.8 m-85 -126.11 135.61 51.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -124.48 128.74 49.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 t70 49.48 41.31 20.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.03 39.37 97.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.461 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -148.45 130.62 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 39.4 tttt -56.25 141.85 39.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.4 m -93.67 154.61 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -107.28 126.36 52.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -75.91 111.79 11.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 t -157.88 177.69 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.799 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -49.08 -39.64 28.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.7 mt -71.02 -23.39 62.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.682 ' HG ' HD21 ' A' ' 67' ' ' LEU . 8.0 tt -131.15 105.48 7.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.1 t -102.49 137.88 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.0 t -129.0 123.89 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -119.12 162.52 18.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 31.0 ttp -141.16 113.87 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.96 77.2 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.632 ' HA2' HG13 ' A' ' 37' ' ' VAL . . . 39.28 93.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HG3' HG22 ' A' ' 37' ' ' VAL . 64.3 mtt180 65.32 25.37 12.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.901 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -133.79 105.79 6.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -109.57 116.26 31.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -132.44 144.2 50.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.682 HD21 ' HG ' ' A' ' 56' ' ' LEU . 3.2 tt -111.03 122.37 47.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.803 HG12 HG22 ' A' ' 29' ' ' VAL . 17.4 mt -102.16 152.51 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.424 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 29.2 mt -139.08 118.86 9.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -37.59 8.81 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.664 2.243 . . . . 0.0 112.304 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -134.02 99.72 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.55 98.78 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -91.99 -179.07 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.64 -27.68 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -66.15 -43.13 87.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.37 -11.99 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -69.08 90.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -161.46 -144.79 4.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -126.55 133.95 50.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.588 ' CE2' HD13 ' A' ' 67' ' ' LEU . 9.3 m-85 -106.48 163.89 12.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -157.15 131.31 8.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 52.5 t -97.09 77.52 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -59.07 124.41 19.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.824 HG22 ' O ' ' A' ' 87' ' ' VAL . 14.5 t -138.36 165.73 26.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.06 80.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.96 -69.16 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.824 ' O ' HG22 ' A' ' 84' ' ' THR . 27.7 m -135.7 -177.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.09 154.09 37.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.43 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -105.78 171.66 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -141.77 120.69 12.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.441 ' HA ' HG22 ' A' ' 18' ' ' VAL . 87.2 m-85 -119.03 112.26 19.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.32 95.79 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 97.1 t -97.96 143.5 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.398 . . . . 0.0 111.09 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.1 m -147.24 112.46 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.212 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.7 t -95.71 108.58 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -98.01 122.91 41.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -61.61 139.68 95.16 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.573 0.701 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.232 . . . . 0.0 112.351 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 CA-C-O 120.847 0.27 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.511 HG12 ' O ' ' A' ' 85' ' ' GLU . 6.3 p -148.21 129.59 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -127.6 133.78 49.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.427 HD13 ' HB2' ' A' ' 89' ' ' ALA . 62.6 mt -69.4 144.44 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mt -107.86 -37.86 5.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.519 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 39.7 t -150.2 135.52 9.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.71 -178.27 16.28 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.386 -0.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -96.36 -40.44 9.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -143.62 173.93 11.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -40.52 132.62 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 27.4 m -113.56 178.5 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 m -147.95 122.83 10.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -133.72 162.0 33.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.5 m -140.02 150.87 44.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.738 ' CD2' HG22 ' A' ' 28' ' ' VAL . 82.0 m-85 -151.93 175.26 12.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 24' ' ' THR . 23.1 m -111.09 155.41 22.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.147 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.413 ' N ' HG22 ' A' ' 23' ' ' THR . 60.5 m -61.32 140.87 57.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 66.23 47.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -131.19 175.8 8.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.4 ttt85 -104.26 112.89 26.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.738 HG22 ' CD2' ' A' ' 22' ' ' PHE . 54.4 t -109.55 132.95 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.691 HG13 ' CG1' ' A' ' 68' ' ' ILE . 16.7 t -138.34 114.45 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.5 mt -81.44 -175.06 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 m -157.69 142.72 16.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.1 t -163.44 133.97 4.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -107.53 142.5 37.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.511 HD12 ' CE1' ' A' ' 65' ' ' HIS . 27.7 mt -116.42 171.99 7.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 t -108.65 25.83 11.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.472 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 13.3 mtp85 -150.57 117.7 5.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.49 HG22 ' HG3' ' A' ' 63' ' ' ARG . 98.6 t -75.23 136.58 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 62.14 42.68 9.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.48 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 3.8 t80 -103.4 139.09 19.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.48 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.4 Cg_endo -69.81 150.0 67.3 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.3 159.74 37.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.2 m -138.77 120.8 15.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -81.21 138.48 35.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.512 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 69.3 m-85 -129.29 135.81 49.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.955 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -117.9 132.89 56.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 t70 46.24 38.83 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.45 37.44 92.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.507 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -148.26 128.86 14.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.512 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 16.7 ttmt -48.33 144.31 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.405 ' HB ' ' CD1' ' A' ' 56' ' ' LEU . 16.3 m -94.4 147.6 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -102.38 115.6 30.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.0 115.21 5.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 t -156.75 179.35 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -55.45 -31.06 61.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.5 mt -80.41 -16.56 54.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.462 ' HG ' HD11 ' A' ' 67' ' ' LEU . 9.5 tt -131.49 107.34 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.8 t -105.06 132.72 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.839 HG22 HD22 ' A' ' 67' ' ' LEU . 92.1 t -124.42 120.43 59.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -104.75 134.41 47.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -125.15 119.02 27.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -133.78 102.1 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.421 ' CA ' HG13 ' A' ' 37' ' ' VAL . . . 44.58 -98.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HG3' HG22 ' A' ' 37' ' ' VAL . 58.3 mtm180 -112.01 38.04 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.367 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -135.2 113.28 11.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.511 ' CE1' HD12 ' A' ' 34' ' ' LEU . 52.2 m80 -122.94 126.06 46.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -142.36 161.39 38.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.839 HD22 HG22 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -121.69 118.42 29.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.691 ' CG1' HG13 ' A' ' 29' ' ' VAL . 61.5 mt -100.98 153.37 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.431 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 45.6 mt -142.42 118.48 6.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 110.918 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -37.31 9.46 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -133.42 98.81 4.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.21 92.34 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.085 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -84.65 153.83 22.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.2 t -43.15 -38.08 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -60.55 -41.19 94.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -48.88 -35.21 14.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.5 p -48.46 103.76 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.21 -151.74 7.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -123.6 129.15 50.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -107.0 144.03 34.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -138.09 130.15 28.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 48.7 t -91.83 76.28 5.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -59.57 127.25 31.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.769 HG22 ' O ' ' A' ' 87' ' ' VAL . 14.8 t -143.49 167.27 22.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.511 ' O ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -65.69 79.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 151.47 -72.72 0.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.769 ' O ' HG22 ' A' ' 84' ' ' THR . 35.7 m -136.68 -177.25 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 111.13 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.17 150.73 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.427 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -103.28 172.11 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -134.92 129.5 34.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.468 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 94.5 m-85 -128.52 123.5 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.98 120.38 6.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 94.2 t -117.57 135.78 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 111.189 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 52.8 m -130.42 109.95 11.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.0 t -95.91 105.3 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -97.78 125.82 42.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -72.08 130.43 86.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.634 0.73 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.788 0.245 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.8 p -159.33 136.25 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.167 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -129.0 133.95 47.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.7 mt -57.31 148.15 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 mt -116.47 -34.82 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.508 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 29.6 t -150.01 129.17 6.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.687 0.756 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.77 -174.02 9.11 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.364 -0.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -101.11 -36.66 8.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -145.0 175.88 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 tptm -48.51 130.79 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 28.4 m -110.47 170.23 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.407 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 11.4 t -135.07 132.13 37.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.407 ' HG ' ' C ' ' A' ' 19' ' ' SER . 5.6 mt -147.25 149.38 32.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 m -131.69 131.94 43.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -132.75 169.02 17.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 25.6 m -110.58 151.44 27.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.3 m -51.62 149.64 4.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 p 60.49 45.45 10.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 23' ' ' THR . 9.4 mm-40 -129.4 176.1 8.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -104.1 117.34 34.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.3 t -114.5 114.2 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -127.96 116.16 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.6 mt -87.53 -175.01 5.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.0 m -157.52 135.24 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.2 t -141.56 153.99 45.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -134.24 151.75 51.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.5 mt -127.61 173.94 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -87.19 -22.97 24.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -116.72 145.46 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.537 HG13 ' OD2' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -91.8 163.1 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.537 ' OD2' HG13 ' A' ' 37' ' ' VAL . 2.9 p30 47.31 42.09 13.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.515 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 23.0 t80 -103.34 139.29 19.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.2 Cg_endo -69.72 149.35 67.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -161.1 177.82 9.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.3 m -154.49 141.6 19.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -94.13 143.81 26.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.449 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 96.9 m-85 -140.32 151.25 44.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -131.92 126.47 34.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 51.71 38.06 21.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.83 29.97 66.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -133.75 155.8 49.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.449 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 74.4 tttt -83.8 126.7 33.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.1 m -75.06 157.43 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -112.59 107.42 16.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -59.7 118.24 5.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 p -154.8 -178.44 7.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -54.96 -38.09 67.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.5 mt -80.35 -10.44 59.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.652 HD21 HD11 ' A' ' 67' ' ' LEU . 1.5 tt -131.01 104.9 7.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.4 t -102.12 135.62 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.657 HG22 ' HG ' ' A' ' 67' ' ' LEU . 89.3 t -128.15 104.83 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -99.26 134.21 42.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.419 ' SD ' ' C ' ' A' ' 60' ' ' MET . 0.4 OUTLIER -121.32 134.98 55.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -134.76 88.61 2.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.474 ' CA ' HG22 ' A' ' 37' ' ' VAL . . . 51.79 -95.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.421 ' HG2' HG23 ' A' ' 37' ' ' VAL . 10.7 ptt180 -109.62 32.13 5.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -142.41 107.59 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -111.19 130.33 55.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -140.83 142.38 34.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.657 ' HG ' HG22 ' A' ' 58' ' ' VAL . 2.4 tt -107.35 124.2 49.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.4 mt -103.26 148.36 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.491 HD13 ' OD2' ' A' ' 76' ' ' ASP . 53.6 mt -137.14 119.67 11.45 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.615 0.722 . . . . 0.0 110.958 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -36.08 11.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -132.81 114.71 14.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.25 95.07 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -86.93 148.07 25.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.5 t -42.2 -37.01 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -64.64 -40.52 95.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.491 ' OD2' HD13 ' A' ' 69' ' ' LEU . 20.0 t0 -49.56 -31.77 11.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 p -55.06 124.74 17.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.17 176.42 32.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -80.62 131.81 35.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -107.1 128.34 54.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -116.67 136.67 52.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 17.3 t -114.72 78.24 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.2 mtp85 -66.06 128.72 37.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -116.22 -74.3 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.448 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 4.5 tp10 -119.69 -64.9 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.14 -22.26 1.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.435 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.7 m -113.33 172.78 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.29 162.58 40.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.78 170.17 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.03 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -135.56 115.37 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.468 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 79.7 m-85 -115.72 113.91 24.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.48 117.56 4.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.2 t -120.55 145.94 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.927 0.394 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.559 HG22 ' HG3' ' A' ' 96' ' ' GLN . 96.7 m -142.31 109.4 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.1 t -96.27 96.76 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.559 ' HG3' HG22 ' A' ' 94' ' ' THR . 75.4 mt-30 -95.41 122.35 38.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -63.27 134.83 95.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.565 0.698 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.448 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.795 0.248 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.8 p -164.72 153.62 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -154.93 135.04 13.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -60.5 145.81 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 mt -110.39 -36.16 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 2.2 t -152.32 137.22 10.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.676 0.751 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.74 -176.16 12.12 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.378 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -99.88 -37.5 9.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.24 170.04 16.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.2 tptm -44.62 134.0 5.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 30.6 m -113.56 170.95 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.1 p -142.47 131.8 23.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -140.91 165.94 26.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.1 m -142.49 144.53 33.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -145.58 170.55 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.402 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 57.7 m -113.37 152.8 29.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.2 m -51.99 143.91 12.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 m 62.54 49.01 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.801 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -130.32 178.35 6.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -104.43 114.2 28.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 72' ' ' ALA . 96.6 t -108.15 112.69 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.14 109.81 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.7 mt -79.28 -174.38 4.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.47 ' O ' ' CE2' ' A' ' 91' ' ' PHE . 21.9 m -155.34 137.17 14.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.1 t -151.74 148.41 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -124.85 155.79 38.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.474 HD12 ' CE1' ' A' ' 65' ' ' HIS . 60.0 mt -136.21 -177.47 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 t -114.77 8.32 16.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.438 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 2.4 mmp_? -135.27 140.9 45.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.561 HG22 ' HG3' ' A' ' 63' ' ' ARG . 71.0 t -96.11 153.12 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.412 ' N ' HG12 ' A' ' 37' ' ' VAL . 28.9 m-20 51.97 31.76 9.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.529 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 6.7 t80 -91.4 140.07 25.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.65 0.738 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.2 Cg_endo -69.78 148.16 64.31 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.254 . . . . 0.0 112.347 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.75 170.03 19.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.5 m -154.5 136.92 14.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -88.27 138.23 31.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 96.5 m-85 -132.98 132.75 42.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -117.27 128.28 54.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 50.26 42.95 26.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.52 38.2 95.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.476 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -146.91 124.56 11.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.532 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 43.3 tttm -50.2 144.72 6.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.3 m -90.28 151.77 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -98.92 119.38 37.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -77.29 115.59 17.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.7 p -159.15 -179.38 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -53.92 -34.35 59.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.9 mt -79.43 -11.81 59.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.486 HD21 HD11 ' A' ' 67' ' ' LEU . 2.3 tt -132.7 105.55 7.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.704 HG12 ' HD3' ' A' ' 59' ' ' LYS . 13.9 t -102.01 125.67 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.2 t -112.46 112.65 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.704 ' HD3' HG12 ' A' ' 57' ' ' VAL . 5.6 mmmm -102.42 133.79 46.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.3 ttp -123.47 102.13 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.16 75.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.15 -95.87 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.509 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.561 ' HG3' HG22 ' A' ' 37' ' ' VAL . 25.2 mtt180 -95.59 -19.11 20.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -93.24 123.34 36.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.474 ' CE1' HD12 ' A' ' 34' ' ' LEU . 22.7 m80 -123.21 129.26 51.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.823 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -142.24 155.02 45.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.486 HD11 HD21 ' A' ' 56' ' ' LEU . 3.1 tt -119.09 123.56 44.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.441 ' N ' HD23 ' A' ' 67' ' ' LEU . 17.5 mt -100.0 151.34 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 30.8 mt -140.3 119.2 8.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.616 0.722 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -38.93 7.18 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.379 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -129.35 109.87 11.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.486 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -80.25 93.23 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -84.59 146.08 27.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.9 t -43.76 -31.58 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -68.93 -39.28 79.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -52.15 -33.52 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 p -52.67 139.2 26.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.37 -159.48 28.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -103.72 129.64 51.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -107.43 130.56 54.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -119.95 132.23 55.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.0 t -110.1 95.97 5.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -86.79 150.84 23.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.699 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -135.0 -75.12 0.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.699 ' H ' HG23 ' A' ' 84' ' ' THR . 17.9 tt0 -118.28 -65.16 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.33 -22.74 1.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.2 m -114.88 158.64 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.53 168.35 19.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.4 ' C ' ' CD1' ' A' ' 90' ' ' PHE . . . -108.18 179.18 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 89' ' ' ALA . 55.4 m-85 -146.94 125.39 12.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.471 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 62.4 m-85 -128.82 117.78 21.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.72 130.09 9.48 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.4 t -131.25 142.64 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 64.3 m -141.18 109.43 5.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.7 t -94.04 100.76 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -94.24 121.7 36.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -66.24 133.05 94.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.402 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.772 0.238 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 85' ' ' GLU . 1.5 p -142.27 132.13 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -134.69 131.38 37.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.475 ' H ' HG21 ' A' ' 87' ' ' VAL . 49.9 mt -66.5 139.7 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -105.44 -32.6 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.523 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 30.1 t -158.85 130.83 4.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.654 0.74 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.3 Cg_endo -69.82 -169.89 5.46 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.342 0.074 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -125.54 -29.48 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -135.39 158.58 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.42 ' HE2' ' CD ' ' A' ' 79' ' ' GLU . 16.3 tptp -40.06 129.95 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 91' ' ' PHE . 16.7 m -108.79 178.04 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -149.97 118.72 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mt -130.61 153.76 48.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.9 m -139.88 136.2 33.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.537 ' CG ' HG22 ' A' ' 28' ' ' VAL . 93.9 m-85 -135.58 167.05 21.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.488 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 78.1 m -102.92 144.66 30.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.132 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 25' ' ' SER . 91.1 m -46.13 156.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.467 ' N ' HG22 ' A' ' 24' ' ' THR . 96.4 p 51.78 51.0 17.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 23' ' ' THR . 31.5 mm-40 -137.52 174.16 10.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -99.16 115.88 30.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.537 HG22 ' CG ' ' A' ' 22' ' ' PHE . 79.2 t -110.61 116.04 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.17 119.32 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.7 mt -89.31 -176.69 5.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 m -150.41 143.07 24.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.7 t -153.89 145.47 23.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -123.56 150.32 44.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.9 mt -130.75 173.97 10.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 t -105.99 5.87 30.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.422 ' C ' ' HG3' ' A' ' 63' ' ' ARG . 13.4 mtp180 -130.68 117.05 18.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.636 HG13 ' HA2' ' A' ' 62' ' ' GLY . 96.0 t -73.62 136.7 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t0 63.91 52.93 2.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.53 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.2 t80 -113.32 140.59 24.56 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.73 163.09 39.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.87 163.16 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.3 m -141.41 123.27 15.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.485 ' O ' HG22 ' A' ' 50' ' ' VAL . 85.6 m95 -77.83 132.24 37.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -123.98 133.39 53.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -113.75 130.08 56.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 t0 49.95 39.81 19.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.13 22.81 77.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -128.05 155.98 43.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -80.26 127.11 31.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 43' ' ' TRP . 4.9 m -83.54 155.54 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -108.26 140.61 41.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -87.63 113.91 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -151.78 -176.18 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -58.74 -25.76 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.713 ' O ' HD23 ' A' ' 69' ' ' LEU . 75.6 mt -88.77 -13.33 39.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 67' ' ' LEU . 1.3 tt -133.46 105.05 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 t -102.13 135.67 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.9 t -125.82 108.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -99.18 135.35 40.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.6 ttt -116.14 153.11 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -164.2 156.68 17.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.636 ' HA2' HG13 ' A' ' 37' ' ' VAL . . . -39.84 106.03 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.465 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.422 ' HG3' ' C ' ' A' ' 36' ' ' ARG . 50.6 mtt180 53.85 42.68 31.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.893 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -154.5 122.58 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -137.03 115.06 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -129.59 148.94 51.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 68' ' ' ILE . 3.5 tt -111.35 122.19 47.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.561 ' N ' HD23 ' A' ' 67' ' ' LEU . 22.1 mt -100.78 152.11 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.713 HD23 ' O ' ' A' ' 55' ' ' LEU . 10.7 mt -140.04 119.55 8.88 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.601 0.715 . . . . 0.0 110.912 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -37.37 9.21 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -134.02 112.8 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -86.19 94.27 9.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -88.24 152.47 21.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.2 t -49.11 -29.69 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -69.12 -34.89 75.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.61 -10.45 56.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 m -68.9 104.96 2.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.08 -159.82 20.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.454 ' OE2' ' N ' ' A' ' 91' ' ' PHE . 32.6 tp10 -107.85 134.45 50.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.457 ' CE2' HD13 ' A' ' 67' ' ' LEU . 22.7 m-85 -106.28 153.79 21.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -150.23 131.55 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 52.9 t -99.76 76.1 1.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -57.95 133.82 55.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 87' ' ' VAL . 13.2 t -152.13 166.78 30.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 7.1 tp10 -69.47 77.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 156.74 -68.51 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.737 ' O ' HG22 ' A' ' 84' ' ' THR . 36.0 m -140.88 -177.71 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.21 146.13 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.49 165.83 10.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -136.33 122.11 19.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.457 ' HA ' HG22 ' A' ' 18' ' ' VAL . 77.6 m-85 -123.52 117.16 24.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.4 ' N ' ' NZ ' ' A' ' 17' ' ' LYS . . . -89.04 104.59 3.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 98.1 t -103.14 142.77 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.404 HG22 ' HG3' ' A' ' 96' ' ' GLN . 18.1 m -139.95 120.2 13.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.489 HG11 ' O ' ' A' ' 72' ' ' ALA . 11.7 t -105.29 101.78 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.404 ' HG3' HG22 ' A' ' 94' ' ' THR . 67.2 mt-30 -97.01 118.49 33.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -56.22 133.37 75.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 -179.945 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.802 0.251 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.878 HG11 ' CE2' ' A' ' 39' ' ' PHE . 5.9 p -133.86 113.11 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -113.49 142.31 46.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.67 ' H ' HG21 ' A' ' 87' ' ' VAL . 53.2 mt -79.94 138.45 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.43 HD12 ' CD ' ' A' ' 33' ' ' GLU . 1.2 mt -98.84 -31.6 11.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 3.4 m -159.97 144.15 10.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.709 0.766 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.0 Cg_endo -69.72 171.88 51.46 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.346 -0.042 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -89.62 -29.14 19.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -148.93 165.27 32.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.18 129.1 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.6 m -110.58 153.8 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -118.85 136.14 54.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mt -138.05 157.2 46.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -143.5 137.21 28.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.413 ' CG ' HG22 ' A' ' 28' ' ' VAL . 63.0 m-85 -143.21 179.24 7.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.437 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 52.9 m -115.74 141.9 47.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.0 m -47.33 139.68 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.6 t 72.67 44.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -134.46 174.12 10.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -98.5 121.42 40.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.413 HG22 ' CG ' ' A' ' 22' ' ' PHE . 78.3 t -118.51 116.0 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -125.93 117.36 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.441 HD22 ' HB3' ' A' ' 91' ' ' PHE . 34.6 mt -84.22 -174.74 5.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 m -154.87 145.8 22.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.2 t -158.09 151.42 23.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.43 ' CD ' HD12 ' A' ' 12' ' ' LEU . 73.1 tt0 -128.35 146.17 50.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.2 mt -124.08 -176.04 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 p -113.98 2.75 15.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.433 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 30.1 mtp180 -134.18 129.68 36.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.793 HG13 ' HA2' ' A' ' 62' ' ' GLY . 7.6 t -77.32 143.31 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 56.17 45.05 24.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.878 ' CE2' HG11 ' A' ' 9' ' ' VAL . 7.2 t80 -98.65 139.96 21.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.685 0.755 . . . . 0.0 110.844 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.81 143.37 50.38 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.42 154.42 22.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.5 m -133.72 134.24 42.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -88.91 143.23 27.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.546 ' CD2' ' HA ' ' A' ' 49' ' ' LYS . 92.0 m-85 -136.03 145.66 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -127.29 128.49 46.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 t70 54.93 30.97 14.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.32 21.98 71.7 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.507 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -125.99 152.33 45.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.546 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 25.3 ttmt -75.39 127.97 34.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.3 m -79.06 167.66 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -124.1 140.1 53.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -88.18 117.53 27.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.7 p -156.95 -175.17 5.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -59.17 -32.8 70.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.6 mt -82.38 -15.23 53.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.61 HD21 HD11 ' A' ' 67' ' ' LEU . 1.2 tt -133.41 106.59 7.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.9 t -105.17 128.77 58.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.57 106.18 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -99.24 131.63 45.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.552 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 3.4 ttt -113.22 166.44 11.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 60' ' ' MET . 3.1 t0 -174.63 167.22 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.793 ' HA2' HG13 ' A' ' 37' ' ' VAL . . . -45.32 109.29 0.29 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.433 ' HG2' ' C ' ' A' ' 36' ' ' ARG . 51.6 mtt180 44.74 33.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -148.26 119.22 7.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -134.27 140.65 46.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -148.37 149.4 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.61 HD11 HD21 ' A' ' 56' ' ' LEU . 2.1 tt -109.33 119.92 40.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 69' ' ' LEU . 11.4 mt -98.47 151.86 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 51.0 mt -140.8 119.25 8.19 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.617 0.722 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -37.92 8.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.239 . . . . 0.0 112.322 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -134.95 103.84 5.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.849 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -74.94 90.38 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -80.33 156.89 26.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.64 -20.69 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -80.35 -26.4 38.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.94 -12.17 60.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.5 p -69.57 129.26 39.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.51 -152.9 23.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.452 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -110.2 131.63 54.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -107.8 148.15 29.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -141.88 135.27 29.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.9 t -99.8 91.06 4.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.7 ttp85 -65.48 119.94 11.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 87' ' ' VAL . 0.6 OUTLIER -136.6 164.22 28.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.472 ' O ' HG12 ' A' ' 9' ' ' VAL . 12.9 mt-10 -75.85 60.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 177.4 -64.95 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.67 HG21 ' H ' ' A' ' 11' ' ' ILE . 2.1 m -139.75 179.16 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.85 142.03 44.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.36 170.76 7.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -142.01 128.04 19.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.441 ' HB3' HD22 ' A' ' 30' ' ' LEU . 87.3 m-85 -129.12 116.74 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -84.18 125.91 7.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 70.0 t -129.33 124.29 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 98.0 m -126.37 100.29 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.849 HG11 ' O ' ' A' ' 72' ' ' ALA . 11.3 t -88.63 98.9 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -91.07 128.54 36.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.75 133.42 73.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.437 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.855 0.273 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.6 p -163.53 118.78 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -106.75 163.47 12.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.586 HD13 ' CD2' ' A' ' 34' ' ' LEU . 3.1 mm -88.02 147.15 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mt -115.97 -32.64 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 36.1 t -157.5 127.1 3.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.8 Cg_endo -69.82 -173.84 8.95 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.317 0.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -99.91 -37.62 8.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.04 -70.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -155.95 142.31 18.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 14' ' ' PRO . 17.7 m -113.38 155.87 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -122.84 129.39 51.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mt -143.55 144.43 31.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -126.86 137.6 53.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -140.28 170.97 14.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.45 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 90.3 m -111.5 142.37 43.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.188 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.7 m -42.52 140.59 1.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.3 m 66.34 48.43 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 23' ' ' THR . 12.1 mm-40 -132.46 178.87 6.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -100.25 122.4 42.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.477 HG23 ' HB2' ' A' ' 72' ' ' ALA . 67.1 t -119.42 112.85 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.1 p -126.64 119.45 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.41 -174.74 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.5 m -155.55 129.41 8.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.7 t -136.44 138.57 41.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -118.69 145.96 45.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.586 ' CD2' HD13 ' A' ' 11' ' ' ILE . 12.4 mt -127.23 174.31 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 p -106.23 29.5 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 13.2 mtt180 -156.14 112.9 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.763 HG22 ' HG3' ' A' ' 63' ' ' ARG . 12.5 t -71.77 150.68 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 53.41 53.29 11.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.814 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 85' ' ' GLU . 17.0 t80 -117.87 136.39 23.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.79 158.2 57.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.47 179.96 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 43' ' ' TRP . 18.1 m -153.38 157.53 40.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.43 ' N ' HG22 ' A' ' 42' ' ' THR . 58.2 m95 -106.95 151.22 25.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 49' ' ' LYS . 87.2 m-85 -143.88 153.56 42.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' GLN . 11.8 tttt -134.26 131.42 38.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 t70 41.63 37.2 0.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.51 33.5 58.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' LYS . 38.1 mt-30 -135.22 121.65 20.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.926 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 13.8 tttp -59.36 137.28 58.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.608 ' HB ' HD13 ' A' ' 56' ' ' LEU . 11.3 m -95.18 159.7 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -120.75 112.27 18.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -52.2 123.19 10.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.2 p -162.74 -175.4 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.12 -24.58 59.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.79 ' O ' HD23 ' A' ' 69' ' ' LEU . 92.1 mt -90.3 -17.06 28.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.608 HD13 ' HB ' ' A' ' 50' ' ' VAL . 5.7 tt -136.43 105.05 5.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.03 140.12 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.7 t -130.21 118.54 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -106.97 169.74 8.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 29.7 ttp -149.82 106.64 3.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -114.81 76.24 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.433 ' HA2' HG13 ' A' ' 37' ' ' VAL . . . 41.03 94.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.763 ' HG3' HG22 ' A' ' 37' ' ' VAL . 61.0 mtm180 63.68 24.98 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -132.49 100.94 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -110.02 106.94 16.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -122.03 140.45 52.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.482 HD23 ' C ' ' A' ' 67' ' ' LEU . 5.2 tt -107.11 117.65 34.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.47 ' N ' HD23 ' A' ' 67' ' ' LEU . 11.4 mt -97.06 151.92 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.79 HD23 ' O ' ' A' ' 55' ' ' LEU . 15.3 mt -140.89 119.18 8.1 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.604 0.716 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -37.93 8.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -125.71 118.08 24.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.477 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -87.07 90.44 8.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.137 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -84.22 145.56 28.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.9 t -44.43 -35.75 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.54 -36.65 84.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -55.71 -25.33 39.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.3 p -63.89 104.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.82 178.92 47.71 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -80.47 129.25 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.389 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -108.61 134.55 51.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -123.74 147.15 47.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.9 t -125.29 98.26 5.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -83.2 121.68 27.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -112.68 -75.59 0.6 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.483 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 33.6 tp10 -123.16 -71.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.59 -8.37 4.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.5 m -120.69 174.21 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 111.105 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.9 149.34 14.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.99 167.1 10.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.093 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -134.97 142.12 46.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.469 ' HA ' HG22 ' A' ' 18' ' ' VAL . 11.7 m-85 -141.77 123.99 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.83 110.53 3.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 61.6 t -108.67 136.87 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 111.116 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.8 m -132.08 110.85 10.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.0 t -101.75 108.53 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -104.37 123.53 47.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -62.87 134.5 95.63 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.45 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.845 0.269 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 85' ' ' GLU . 5.4 p -159.01 130.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 35' ' ' SER . 27.5 p-80 -132.26 144.36 50.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.408 HD13 ' HB2' ' A' ' 89' ' ' ALA . 32.9 mt -78.16 134.1 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -98.8 -34.74 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 58.0 p -151.62 138.03 11.62 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.9 Cg_endo -69.75 -168.54 4.46 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.32 -0.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -102.85 -22.39 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 17' ' ' LYS . 4.4 p30 -162.54 159.49 24.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 16' ' ' ASP . 8.5 tttt -34.15 128.88 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.443 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 29.1 m -107.87 169.34 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 t -140.0 128.67 23.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mt -136.28 167.93 20.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m -144.38 135.05 24.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -138.74 173.91 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 24' ' ' THR . 25.6 m -108.99 159.67 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.492 ' N ' HG22 ' A' ' 23' ' ' THR . 89.0 m -63.3 134.88 56.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 t 73.67 46.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -126.67 175.5 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -103.16 102.4 12.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.4 t -96.64 132.73 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.641 HG13 HG13 ' A' ' 68' ' ' ILE . 24.7 t -140.75 120.44 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.9 mt -92.86 -175.41 3.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.3 m -159.21 137.61 10.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.9 t -151.11 136.92 18.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -116.18 145.22 43.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -124.68 -176.01 3.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 60.2 p -106.02 -10.2 16.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' CZ ' ' HA ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -119.66 135.64 54.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.43 ' O ' ' CG ' ' A' ' 38' ' ' ASP . 17.5 t -86.71 152.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 2.9 p30 49.55 25.82 1.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.533 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.0 t80 -77.56 140.67 64.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.81 151.2 68.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -173.11 171.65 4.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.6 m -147.46 138.76 23.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.465 ' O ' HG22 ' A' ' 50' ' ' VAL . 81.5 m95 -90.06 129.98 36.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -124.28 147.37 48.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 48' ' ' GLN . 15.7 tttm -128.59 135.46 49.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 t70 39.76 25.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . 86.42 34.91 11.21 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.52 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 45' ' ' LYS . 11.6 pt20 -140.27 133.16 29.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.926 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -67.2 125.8 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 43' ' ' TRP . 26.2 m -73.37 170.66 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -132.6 103.16 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -49.26 113.35 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 t -152.45 -176.56 5.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.0 -32.74 66.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.5 mt -87.83 -1.31 57.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.877 HD21 HD21 ' A' ' 67' ' ' LEU . 3.4 tt -144.32 106.44 4.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 t -104.33 134.31 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.4 HG22 HD22 ' A' ' 67' ' ' LEU . 12.2 t -124.03 115.36 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -99.52 145.83 27.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.0 ttp -134.44 101.86 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -104.67 61.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.35 -94.95 1.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.99 5.05 23.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 0.0 110.905 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -107.71 123.82 49.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -121.94 125.46 46.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -132.45 145.07 50.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.877 HD21 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -109.16 112.39 24.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.641 HG13 HG13 ' A' ' 29' ' ' VAL . 37.3 mt -97.42 151.41 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.402 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 45.6 mt -140.02 118.78 8.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.575 0.703 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -37.53 9.02 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.701 2.268 . . . . 0.0 112.324 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -133.12 101.53 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.08 106.87 17.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -102.14 170.4 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -57.78 -24.54 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -74.9 -30.84 61.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.98 -21.12 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.5 p -59.25 114.96 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.13 -159.79 26.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.431 ' OE2' ' C ' ' A' ' 91' ' ' PHE . 20.5 tp10 -111.9 136.65 50.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -108.52 150.01 28.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -143.73 130.21 20.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.9 t -100.4 74.12 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -58.57 138.95 56.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.769 HG22 ' O ' ' A' ' 87' ' ' VAL . 6.4 t -153.15 168.87 24.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.523 ' O ' HG12 ' A' ' 9' ' ' VAL . 5.4 tt0 -66.19 73.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.79 -73.83 0.22 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.769 ' O ' HG22 ' A' ' 84' ' ' THR . 33.9 m -137.69 -179.63 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 111.115 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.95 158.96 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.408 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -112.26 168.16 9.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -137.61 122.51 18.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.443 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 51.5 m-85 -122.91 114.31 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.34 109.01 3.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.451 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 88.9 t -110.76 146.11 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.2 m -139.05 138.5 37.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.6 t -123.02 99.17 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -95.17 132.74 39.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -75.07 131.59 78.42 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.609 0.719 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.451 ' HD3' HG22 ' A' ' 23' ' ' THR . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.209 0 C-N-CA 122.712 2.274 . . . . 0.0 112.359 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.837 0.266 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 9' ' ' VAL . 11.3 p -104.84 125.08 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.467 ' CE1' ' OG ' ' A' ' 35' ' ' SER . 22.1 p80 -119.21 133.21 55.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.5 ' CD1' ' C ' ' A' ' 88' ' ' SER . 15.3 mt -72.15 133.9 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.572 HD12 ' HG2' ' A' ' 33' ' ' GLU . 3.2 mt -93.21 -36.86 12.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.562 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 17.5 t -154.06 141.23 13.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.7 Cg_endo -69.73 151.79 91.66 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.341 -0.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -69.41 -33.32 72.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -146.34 176.33 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -50.32 143.77 8.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 28.3 m -120.91 174.19 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.415 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 13.7 t -139.83 131.95 28.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.415 ' HG ' ' C ' ' A' ' 19' ' ' SER . 4.1 mt -146.72 144.17 29.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 m -125.18 152.09 44.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -155.22 175.87 13.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.483 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 23.5 m -113.49 140.71 47.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.7 m -44.69 140.03 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t 74.17 36.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 23' ' ' THR . 5.4 mm-40 -120.29 179.4 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -106.68 121.86 45.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.566 HG23 ' HB2' ' A' ' 72' ' ' ALA . 62.5 t -117.85 126.63 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.82 HG13 HG13 ' A' ' 68' ' ' ILE . 23.3 t -135.14 113.18 15.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.0 mt -85.23 -175.17 5.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.6 m -160.36 136.94 8.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.3 t -146.69 146.19 30.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.572 ' HG2' HD12 ' A' ' 12' ' ' LEU . 23.1 tt0 -121.87 156.26 33.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.8 mt -129.1 170.16 13.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.467 ' OG ' ' CE1' ' A' ' 10' ' ' HIS . 22.9 t -81.28 -33.96 32.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.586 ' HD2' ' CE2' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -120.27 148.64 43.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.498 HG22 ' HA3' ' A' ' 62' ' ' GLY . 0.5 OUTLIER -86.27 172.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.496 ' H ' HG22 ' A' ' 37' ' ' VAL . 4.3 p-10 47.13 48.43 15.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CE2' ' HD2' ' A' ' 36' ' ' ARG . 2.3 t80 -113.72 138.89 22.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.566 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.73 154.7 67.53 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.73 2.287 . . . . 0.0 112.316 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.25 149.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.4 m -131.99 144.31 50.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.441 ' CG ' HD12 ' A' ' 67' ' ' LEU . 82.6 m95 -90.49 139.16 30.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 92.2 m-85 -132.58 140.19 48.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -123.2 126.28 46.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t0 55.99 30.53 16.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.4 23.22 68.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -129.27 148.36 51.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 33.3 ttpt -70.81 130.59 42.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.3 m -82.02 157.21 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -108.99 125.8 52.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -77.38 114.57 16.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -153.63 -175.95 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -58.53 -35.82 72.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.432 ' O ' HD23 ' A' ' 69' ' ' LEU . 47.5 mt -80.89 -7.9 59.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.554 HD21 HD11 ' A' ' 67' ' ' LEU . 1.5 tt -140.91 105.72 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.6 t -102.06 142.05 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.7 t -130.81 104.53 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -99.41 137.48 37.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.5 ttt -135.94 109.32 7.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.27 59.7 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.498 ' HA3' HG22 ' A' ' 37' ' ' VAL . . . 86.86 -91.14 1.71 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 ptt-85 -109.5 3.15 20.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -109.31 104.72 13.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -106.34 129.08 54.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -142.46 139.6 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.554 HD11 HD21 ' A' ' 56' ' ' LEU . 3.3 tt -107.73 119.51 39.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.82 HG13 HG13 ' A' ' 29' ' ' VAL . 14.5 mt -100.61 150.85 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 55' ' ' LEU . 36.9 mt -138.55 119.09 9.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.578 0.704 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -37.41 9.1 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.688 2.259 . . . . 0.0 112.344 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -134.92 92.45 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -70.23 101.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -93.17 163.98 13.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.7 t -55.72 -32.29 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -68.84 -35.96 77.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -63.21 -22.57 66.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.2 p -63.12 128.34 35.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.54 -175.36 38.12 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -84.65 128.45 34.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -109.41 126.94 53.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -121.58 130.52 53.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 27.2 t -107.56 83.61 1.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 84' ' ' THR . 15.2 ttt180 -85.18 146.54 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -130.45 -77.28 0.53 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.514 ' H ' HG23 ' A' ' 84' ' ' THR . 10.4 mm-40 -115.75 -67.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.45 -4.17 5.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.2 m -130.5 165.07 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.123 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.5 ' C ' ' CD1' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -159.5 166.05 31.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.485 ' O ' ' CD1' ' A' ' 90' ' ' PHE . . . -106.97 -179.98 4.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 89' ' ' ALA . 33.0 m-85 -149.62 134.2 17.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.457 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 36.3 m-85 -142.17 122.09 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.94 113.45 4.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 61.9 t -113.42 133.8 58.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.937 0.398 . . . . 0.0 111.093 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.5 m -126.07 108.76 11.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.2 t -99.52 98.85 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -93.12 124.36 37.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -63.11 137.56 97.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.702 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.84 0.267 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.431 HG11 ' CE2' ' A' ' 39' ' ' PHE . 14.8 p -131.97 143.82 39.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -135.05 132.19 37.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.6 mt -67.08 149.36 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.652 HD12 ' HG2' ' A' ' 33' ' ' GLU . 2.9 mt -114.14 -35.24 5.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.515 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 3.2 m -152.66 132.37 7.13 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.819 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.69 -178.55 16.87 Favored 'Cis proline' 0 C--O 1.231 0.144 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.372 -0.136 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -96.9 -37.03 10.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.25 174.8 10.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -43.33 133.25 4.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.578 HG22 ' HA ' ' A' ' 91' ' ' PHE . 14.5 m -111.87 174.96 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -140.39 127.94 21.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.2 mt -141.24 151.56 43.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -137.92 138.77 39.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CG ' HG22 ' A' ' 28' ' ' VAL . 47.0 m-85 -141.15 170.8 15.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.448 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 59.4 m -106.1 152.95 22.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.8 m -52.14 150.07 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.2 p 56.11 51.69 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -130.47 177.56 7.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.4 ttt-85 -107.65 107.17 17.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.404 HG22 ' CG ' ' A' ' 22' ' ' PHE . 84.4 t -102.05 131.06 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.815 HG22 HG12 ' A' ' 68' ' ' ILE . 51.0 t -136.24 117.67 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.3 mt -86.96 -175.25 5.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.6 m -158.46 134.57 9.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.4 t -149.96 143.08 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.652 ' HG2' HD12 ' A' ' 12' ' ' LEU . 12.0 tt0 -119.45 158.79 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.6 mt -138.32 171.46 14.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.403 ' HB2' HD21 ' A' ' 12' ' ' LEU . 15.1 t -109.56 23.86 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -148.73 111.08 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.443 ' CG2' ' HG3' ' A' ' 63' ' ' ARG . 54.9 t -70.06 146.54 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t70 60.91 39.84 16.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.431 ' CE2' HG11 ' A' ' 9' ' ' VAL . 2.0 t80 -106.92 124.24 36.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.671 0.748 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 168.51 21.38 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.222 . . . . 0.0 112.352 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -171.63 -178.48 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.2 m -146.52 140.74 26.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.566 ' O ' HG22 ' A' ' 50' ' ' VAL . 81.0 m95 -98.08 123.82 42.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.506 ' CE2' ' HB2' ' A' ' 49' ' ' LYS . 71.3 m-85 -115.25 143.76 44.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -131.0 129.24 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 47.64 40.65 12.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.38 35.51 87.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -149.58 116.57 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 29.3 ttpt -51.94 131.52 31.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 43' ' ' TRP . 18.0 m -78.89 169.04 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -131.88 101.04 5.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -40.13 134.27 1.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -162.3 -176.21 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -56.21 -37.43 69.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.549 ' O ' HD23 ' A' ' 69' ' ' LEU . 19.6 mt -90.07 -7.05 54.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -129.52 101.74 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 t -103.15 134.77 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.1 t -128.06 113.72 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -102.04 154.0 19.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.482 ' HG2' ' N ' ' A' ' 61' ' ' ASP . 2.7 ttt -131.85 148.97 52.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.482 ' N ' ' HG2' ' A' ' 60' ' ' MET . 1.3 m-20 -159.73 154.2 23.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -40.23 106.84 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.443 ' HG3' ' CG2' ' A' ' 37' ' ' VAL . 96.8 mtt180 53.92 42.19 31.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -155.58 121.28 5.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -133.57 120.11 20.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 ptt-85 -134.54 153.0 52.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 68' ' ' ILE . 2.7 tt -115.83 139.32 50.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.815 HG12 HG22 ' A' ' 29' ' ' VAL . 20.1 mt -120.65 153.1 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 55' ' ' LEU . 66.5 mt -140.44 118.18 8.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.571 0.701 . . . . 0.0 110.945 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -38.99 7.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -128.51 92.69 3.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.438 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -79.4 90.49 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -83.82 171.94 12.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.6 t -53.32 -38.75 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -63.87 -42.45 97.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.5 -30.22 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.2 p -57.94 135.87 56.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.3 172.84 23.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -78.31 128.28 33.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -107.4 126.94 53.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -119.09 148.59 42.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.5 t -123.09 80.54 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -76.88 108.13 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.88 -75.63 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.401 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 2.7 tp10 -128.43 -49.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.23 -29.17 0.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.5 m -113.4 175.75 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.33 163.48 30.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.21 130.59 56.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -99.42 125.14 45.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.578 ' HA ' HG22 ' A' ' 18' ' ' VAL . 50.4 m-85 -124.57 112.66 17.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.97 109.19 3.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.8 t -109.48 149.5 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 111.154 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.9 m -145.55 116.39 7.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.438 HG11 ' O ' ' A' ' 72' ' ' ALA . 43.7 t -101.59 108.24 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -101.32 133.96 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -75.38 131.42 77.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.448 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.499 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.131 0 CA-C-O 120.857 0.274 . . . . 0.0 112.364 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 85' ' ' GLU . 4.3 p -146.29 131.6 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.431 ' CE1' ' HG ' ' A' ' 35' ' ' SER . 10.5 p80 -130.63 131.66 45.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.577 ' CD1' HG23 ' A' ' 87' ' ' VAL . 51.4 mt -73.62 129.26 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.459 HD12 ' HG2' ' A' ' 33' ' ' GLU . 5.5 mt -89.26 -27.5 20.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.519 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 19.1 t -162.49 132.19 3.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.678 0.751 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.78 -168.99 4.77 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.364 -0.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -114.97 -34.07 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -134.34 -70.95 0.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -159.87 142.2 13.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 91' ' ' PHE . 29.6 m -116.57 176.11 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.5 t -142.24 135.28 28.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 mt -144.34 155.04 43.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.3 m -136.73 138.91 41.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CG ' HG22 ' A' ' 28' ' ' VAL . 62.4 m-85 -145.84 164.15 32.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.9 m -102.83 150.59 23.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.151 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.5 m -54.87 141.55 32.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.196 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 m 69.63 48.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -140.17 175.02 9.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -97.5 123.71 41.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.618 HG22 ' CG ' ' A' ' 22' ' ' PHE . 67.1 t -125.19 118.27 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.417 ' CG2' ' HE ' ' A' ' 66' ' ' ARG . 1.4 p -130.41 125.47 59.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.566 HD21 ' CG2' ' A' ' 93' ' ' VAL . 65.8 mt -86.39 -170.72 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.404 ' OG1' ' NH2' ' A' ' 66' ' ' ARG . 1.2 m -156.48 130.55 8.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -143.51 133.65 24.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.459 ' HG2' HD12 ' A' ' 12' ' ' LEU . 23.0 tt0 -110.74 154.6 23.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.9 mt -135.28 171.17 14.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.431 ' HG ' ' CE1' ' A' ' 10' ' ' HIS . 23.2 t -100.57 -3.26 30.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 8' ' ' PRO . 18.3 mtt180 -121.36 134.46 55.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.424 HG23 ' NE ' ' A' ' 63' ' ' ARG . 19.3 t -89.68 145.99 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t70 53.12 51.45 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.527 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.5 t80 -111.31 140.42 22.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.667 0.746 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.67 159.2 54.38 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.73 2.286 . . . . 0.0 112.367 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -171.26 160.22 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.035 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.42 HG22 ' CE1' ' A' ' 44' ' ' TYR . 82.1 m -137.04 124.21 21.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -78.17 151.31 33.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.518 ' CE2' ' HB2' ' A' ' 49' ' ' LYS . 73.9 m-85 -142.13 157.77 44.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 48' ' ' GLN . 17.7 tttm -133.4 133.61 42.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 41.31 25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . 88.88 31.88 11.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 45' ' ' LYS . 6.5 pt20 -144.4 122.17 11.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.931 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.518 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -47.57 147.82 1.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.4 m -101.29 145.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -102.54 104.54 14.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' HA ' HD22 ' A' ' 56' ' ' LEU . 1.6 mp0 -52.31 125.34 15.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 t -155.33 -176.46 5.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.82 -29.84 60.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.533 ' O ' HD23 ' A' ' 69' ' ' LEU . 48.4 mt -90.9 -7.76 51.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 52' ' ' GLU . 5.8 tt -134.47 103.93 5.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 t -105.38 128.24 59.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.9 t -118.1 117.69 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -99.63 142.4 31.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.6 ttt -130.46 106.06 8.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.85 103.41 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 41.7 -120.04 1.94 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.424 ' NE ' HG23 ' A' ' 37' ' ' VAL . 75.3 mtt180 -87.98 40.73 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 110.853 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -143.33 124.06 14.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -138.84 117.11 11.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.455 ' NE ' ' O ' ' A' ' 30' ' ' LEU . 5.2 ptm180 -133.04 170.7 14.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.444 HD21 ' HG ' ' A' ' 56' ' ' LEU . 5.6 tt -126.2 116.38 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.6 mt -96.43 148.46 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.058 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 55' ' ' LEU . 53.9 mt -136.51 119.24 11.9 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.64 0.733 . . . . 0.0 110.95 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -36.48 10.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.739 2.293 . . . . 0.0 112.336 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -132.28 111.59 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.79 97.32 9.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -90.83 154.29 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.4 t -55.28 -17.7 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -83.39 -22.91 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.66 -14.15 59.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.407 ' CB ' ' H ' ' A' ' 95' ' ' VAL . 43.7 p -68.12 102.21 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.63 -157.51 12.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -111.6 129.45 56.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.886 0.375 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -106.34 148.93 27.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -141.08 132.71 27.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.1 t -102.54 79.39 1.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -61.54 142.35 57.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.795 HG22 ' O ' ' A' ' 87' ' ' VAL . 13.5 t -156.36 165.12 37.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.481 ' O ' HG12 ' A' ' 9' ' ' VAL . 4.6 tp10 -62.64 76.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 84' ' ' THR . . . 153.71 -72.69 0.26 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.795 ' O ' HG22 ' A' ' 84' ' ' THR . 20.1 m -138.14 -179.06 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.39 149.73 38.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.511 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -102.39 165.97 10.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -133.75 134.03 42.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.494 ' HA ' HG22 ' A' ' 18' ' ' VAL . 83.5 m-85 -133.37 137.56 45.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -109.39 111.8 3.27 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.566 ' CG2' HD21 ' A' ' 30' ' ' LEU . 62.9 t -116.36 130.74 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 111.17 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 54.8 m -127.01 119.67 27.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.407 ' H ' ' CB ' ' A' ' 77' ' ' SER . 13.9 t -103.7 104.2 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -98.66 114.26 26.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -58.3 137.64 84.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.868 0.279 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.44 ' CG1' ' HB3' ' A' ' 85' ' ' GLU . 7.7 p -160.38 126.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -119.89 160.26 23.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.8 mt -85.16 143.21 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.115 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.485 HD12 ' OE1' ' A' ' 33' ' ' GLU . 7.8 mt -110.13 -33.16 6.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.529 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 60.2 p -147.43 131.94 8.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.658 0.742 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.4 Cg_endo -69.8 -171.47 6.69 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.36 -0.086 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -103.9 -34.91 8.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' LYS . 33.5 m-20 -146.27 161.98 39.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' ASP . 28.9 tttt -34.58 129.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 91' ' ' PHE . 16.5 m -107.83 170.98 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.0 p -145.79 113.43 6.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mt -125.7 149.81 48.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.0 m -130.14 144.69 51.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CG ' HG22 ' A' ' 28' ' ' VAL . 95.5 m-85 -146.77 169.23 19.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.442 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 41.9 m -105.02 153.54 21.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 23' ' ' THR . 92.8 m -54.68 147.84 13.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 p 61.01 47.99 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.811 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -132.46 169.19 16.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -98.28 116.92 31.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.404 HG22 ' CG ' ' A' ' 22' ' ' PHE . 92.9 t -114.24 128.6 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.827 HG13 HG13 ' A' ' 68' ' ' ILE . 24.2 t -135.19 119.26 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.7 mt -85.41 -175.07 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.9 m -156.87 137.22 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 49.6 t -152.63 146.34 25.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.485 ' OE1' HD12 ' A' ' 12' ' ' LEU . 39.0 tt0 -122.21 156.61 33.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.458 HD21 HG21 ' A' ' 84' ' ' THR . 64.5 mt -133.92 173.73 11.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.478 ' OG ' HD21 ' A' ' 12' ' ' LEU . 1.8 m -105.96 24.84 11.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.462 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 25.9 mtp85 -152.61 132.61 13.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.9 t -82.59 150.35 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 46.59 46.32 14.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.517 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 18.8 t80 -100.2 139.22 20.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.81 146.14 58.98 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.334 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.96 164.31 20.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.8 m -147.74 143.92 27.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.439 ' HB2' HG21 ' A' ' 50' ' ' VAL . 60.5 m95 -92.97 153.91 18.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.56 ' CD2' ' HA ' ' A' ' 49' ' ' LYS . 87.4 m-85 -144.94 134.88 23.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.96 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -116.14 127.7 55.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.4 t0 52.03 41.05 29.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.61 39.59 98.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' LYS . 31.5 mt-30 -149.02 119.67 7.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 22.7 tttp -37.28 143.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 43' ' ' TRP . 33.2 m -87.84 146.96 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -96.22 100.86 12.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -58.76 114.59 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.8 p -161.16 176.61 11.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.52 -39.2 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.484 ' O ' HD23 ' A' ' 69' ' ' LEU . 87.6 mt -69.35 -22.9 63.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.47 ' HG ' HD21 ' A' ' 67' ' ' LEU . 8.5 tt -129.07 106.27 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.7 t -102.01 125.8 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.4 t -112.74 120.08 61.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.435 ' NZ ' ' HA ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -100.48 150.14 22.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.7 ttp -139.47 109.25 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.86 100.83 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 43.79 -113.3 0.72 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.463 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -97.5 45.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -150.94 118.64 6.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -125.48 109.61 12.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -120.93 152.38 38.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.47 HD21 ' HG ' ' A' ' 56' ' ' LEU . 4.8 tt -114.8 123.3 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.827 HG13 HG13 ' A' ' 29' ' ' VAL . 12.5 mt -102.8 153.17 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 55' ' ' LEU . 37.8 mt -139.49 118.97 9.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.631 0.729 . . . . 0.0 110.97 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -37.36 9.35 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.355 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -128.33 112.24 14.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.402 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -82.7 79.09 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.5 ptmm? -82.06 147.55 29.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.3 t -44.73 -27.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -74.17 -37.44 63.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 73' ' ' LYS . 33.7 m-20 -52.45 -31.98 37.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.9 p -57.59 141.69 47.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.74 173.35 20.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -77.3 125.56 29.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -107.4 125.5 51.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -113.31 131.25 56.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.8 t -109.71 85.81 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -77.57 128.49 34.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.458 HG21 HD21 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -115.91 -74.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.487 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 3.9 tp10 -120.43 -60.1 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -131.51 -25.89 0.76 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.7 m -113.43 177.79 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.136 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.48 159.08 27.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -106.18 137.41 44.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -107.56 120.56 42.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.521 ' HA ' HG22 ' A' ' 18' ' ' VAL . 72.1 m-85 -115.06 113.7 24.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.38 101.17 2.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 98.4 t -100.51 147.04 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 93.3 m -140.5 114.07 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.402 HG11 ' O ' ' A' ' 72' ' ' ALA . 39.4 t -102.12 116.72 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -110.04 137.56 47.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -77.81 134.97 64.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.709 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.442 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.238 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.799 0.25 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.417 HG11 ' CE2' ' A' ' 39' ' ' PHE . 8.4 p -145.77 146.31 19.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -147.9 128.04 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.513 ' CD1' ' C ' ' A' ' 88' ' ' SER . 20.3 mt -63.52 142.87 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.566 HD21 ' OG ' ' A' ' 35' ' ' SER . 7.0 mt -107.63 -34.54 6.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 46.4 t -153.53 134.74 8.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.895 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.2 Cg_endo -69.76 167.71 70.08 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.34 -0.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -85.64 -34.8 21.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.17 174.34 12.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.5 tptt -45.57 130.96 8.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 16.2 m -109.55 178.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.9 p -143.32 119.14 10.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mt -137.08 149.86 47.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -134.89 146.83 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -142.86 175.62 9.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 55.8 m -111.28 142.47 43.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.4 m -46.24 147.22 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.9 m 61.95 50.18 4.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 23' ' ' THR . 28.7 mm-40 -136.92 167.49 21.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -94.1 120.24 34.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.479 HG23 ' HB2' ' A' ' 72' ' ' ALA . 98.3 t -114.77 117.31 55.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -129.57 107.64 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.7 mt -79.53 -175.92 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.1 m -151.88 139.05 19.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.0 t -146.07 146.08 30.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -124.56 153.12 42.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.6 mt -135.8 -178.64 5.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.566 ' OG ' HD21 ' A' ' 12' ' ' LEU . 1.7 m -109.25 -4.01 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -117.3 134.56 54.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.5 t -83.58 141.92 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t0 53.66 28.44 8.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.437 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 3.1 t80 -77.97 134.57 63.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.437 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.79 142.7 48.5 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.06 173.38 17.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.7 m -154.49 137.69 15.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -84.51 156.93 21.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.558 ' HA ' HG13 ' A' ' 50' ' ' VAL . 93.2 m-85 -150.99 154.88 37.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' GLN . 19.2 tttt -130.48 144.32 51.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 40.18 24.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . 83.99 35.63 15.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 45' ' ' LYS . 7.5 pt20 -142.11 161.57 37.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.908 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.496 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 30.5 tttt -75.15 127.94 34.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.558 HG13 ' HA ' ' A' ' 44' ' ' TYR . 17.6 m -79.04 137.75 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -77.81 126.8 31.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -88.39 112.82 23.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 t -158.74 -174.96 5.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -55.02 -37.93 67.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.718 ' O ' HD23 ' A' ' 69' ' ' LEU . 87.3 mt -74.15 -18.59 60.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 tt -132.19 103.8 6.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.4 t -102.06 129.67 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.9 t -119.71 111.24 32.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -99.67 145.63 27.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 ttt -136.7 113.23 10.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -127.92 120.82 28.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 39.61 -114.01 0.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.463 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.67 43.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.384 . . . . 0.0 110.857 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -146.79 116.79 7.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -116.08 138.94 50.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 ptt-85 -148.18 141.82 25.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.569 HD23 ' N ' ' A' ' 68' ' ' ILE . 3.9 tt -106.03 122.07 45.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.569 ' N ' HD23 ' A' ' 67' ' ' LEU . 18.2 mt -100.42 148.67 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 55' ' ' LEU . 10.6 mt -137.05 119.53 11.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.902 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -36.18 11.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -140.92 105.73 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.479 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -78.01 97.07 5.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -85.58 160.95 19.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.7 t -55.28 -27.45 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -71.6 -38.49 70.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.12 -10.23 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -69.13 102.07 1.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.09 -171.06 39.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -92.68 137.04 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -114.32 139.42 49.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 89' ' ' ALA . 5.1 tt0 -129.53 144.13 51.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.4 t -117.89 82.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 84' ' ' THR . 19.1 ttt180 -83.96 146.55 27.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.59 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -131.83 -75.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.59 ' H ' HG23 ' A' ' 84' ' ' THR . 7.3 mt-10 -116.9 -66.48 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.59 -11.93 2.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.4 m -121.43 161.23 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.513 ' C ' ' CD1' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -153.09 167.89 27.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.843 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 81' ' ' GLU . . . -107.16 179.41 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.144 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -150.51 133.98 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.466 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 68.0 m-85 -140.93 130.7 24.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.01 90.95 1.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.4 t -93.87 133.47 34.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 111.148 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.1 m -136.99 124.21 21.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.3 t -105.58 129.3 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -124.83 113.96 18.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -60.63 133.82 91.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.623 0.725 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.426 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m 55.37 44.85 26.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 110.893 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -106.35 171.58 7.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.97 50.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 p -114.8 147.62 39.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.9 0.381 . . . . 0.0 110.841 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -88.97 -57.79 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.36 146.86 23.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -50.16 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.726 2.284 . . . . 0.0 112.344 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 p -154.87 128.28 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -126.88 139.45 53.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.696 ' CD1' HG23 ' A' ' 87' ' ' VAL . 56.6 mt -69.98 144.22 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.512 HD12 ' HG2' ' A' ' 33' ' ' GLU . 6.5 mt -106.65 -34.17 7.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.543 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 1.8 m -156.2 140.62 11.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.69 0.757 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.4 Cg_endo -69.8 176.04 34.29 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.352 -0.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -92.88 -33.84 14.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.89 178.58 7.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' HE3' ' CD ' ' A' ' 79' ' ' GLU . 14.7 tptm -53.73 131.51 39.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 91' ' ' PHE . 17.9 m -111.99 168.89 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 t -139.41 130.81 26.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mt -137.59 150.58 47.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.9 m -137.99 131.71 31.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.631 ' CG ' HG22 ' A' ' 28' ' ' VAL . 77.4 m-85 -132.12 171.41 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.456 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 55.7 m -110.73 142.79 42.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 84.4 m -47.29 147.69 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 p 65.45 40.22 4.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 23' ' ' THR . 44.6 mm-40 -133.52 174.13 10.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -99.44 127.91 45.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.631 HG22 ' CG ' ' A' ' 22' ' ' PHE . 93.3 t -122.29 114.2 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.45 117.44 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.2 mt -85.42 -174.91 5.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.2 m -153.32 140.28 19.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.5 t -157.48 138.83 13.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.512 ' HG2' HD12 ' A' ' 12' ' ' LEU . 32.5 tt0 -116.56 154.97 29.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.9 mt -132.12 176.42 8.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.2 p -109.54 16.75 22.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.474 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 27.0 mtp85 -143.54 126.12 15.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.489 HG13 ' HA2' ' A' ' 62' ' ' GLY . 88.3 t -82.12 144.31 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 57.66 45.44 19.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.531 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.4 t80 -106.27 140.55 21.39 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.79 162.17 43.1 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.74 155.76 2.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.8 m -131.72 125.06 31.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CG ' HD23 ' A' ' 67' ' ' LEU . 83.2 m95 -79.19 140.76 37.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -131.82 134.79 46.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -117.02 128.41 55.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 t70 49.86 31.97 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.38 28.82 59.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -145.39 129.59 17.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.917 0.389 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HD2' ' C ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -42.59 149.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.6 m -92.36 138.92 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -88.69 89.73 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HA ' HD23 ' A' ' 56' ' ' LEU . 4.8 mt-10 -54.12 130.05 36.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -171.26 -175.06 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -56.13 -29.54 60.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.434 ' O ' HD23 ' A' ' 69' ' ' LEU . 96.0 mt -85.76 -7.03 59.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.914 HD12 HD21 ' A' ' 69' ' ' LEU . 5.0 tp -134.56 108.98 8.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.654 HG12 ' HD3' ' A' ' 59' ' ' LYS . 6.3 t -104.18 125.64 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.575 HG22 ' CD2' ' A' ' 67' ' ' LEU . 63.7 t -113.84 108.66 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.654 ' HD3' HG12 ' A' ' 57' ' ' VAL . 4.9 mmmm -99.09 135.2 40.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.8 ttt -122.06 142.3 50.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -150.43 154.88 38.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.489 ' HA2' HG13 ' A' ' 37' ' ' VAL . . . -40.8 105.27 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.425 ' HG3' ' CG2' ' A' ' 37' ' ' VAL . 97.4 mtt180 56.02 41.81 29.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -158.6 117.45 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -130.02 134.91 47.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -145.17 151.64 38.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.575 ' CD2' HG22 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -110.9 119.4 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.584 HD12 ' CG ' ' A' ' 59' ' ' LYS . 9.3 mt -103.71 149.49 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.914 HD21 HD12 ' A' ' 56' ' ' LEU . 36.0 mt -140.73 119.33 8.27 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.599 0.714 . . . . 0.0 110.933 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -36.56 10.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.728 2.285 . . . . 0.0 112.344 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -133.92 97.05 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.521 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -74.01 91.92 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -83.26 155.72 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.4 t -47.29 -24.54 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -77.36 -37.31 52.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -58.16 -16.39 13.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.2 p -67.04 126.32 28.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 165.05 -168.34 39.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.473 ' OE2' ' N ' ' A' ' 91' ' ' PHE . 45.7 tp10 -99.51 130.63 45.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.371 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -106.31 150.77 25.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.484 ' CG ' ' HB3' ' A' ' 88' ' ' SER . 8.1 tt0 -150.56 129.85 12.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 40.6 t -93.66 73.36 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -50.12 138.99 15.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.812 HG22 ' O ' ' A' ' 87' ' ' VAL . 12.8 t -154.9 171.06 20.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.31 70.66 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 164.82 -67.12 0.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.812 ' O ' HG22 ' A' ' 84' ' ' THR . 34.2 m -144.43 177.64 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.484 ' HB3' ' CG ' ' A' ' 81' ' ' GLU . 0.7 OUTLIER -137.2 152.94 50.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.8 163.66 12.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.079 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -130.31 120.23 24.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.476 ' HA ' HG22 ' A' ' 18' ' ' VAL . 86.8 m-85 -125.61 113.83 17.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.13 123.94 6.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -125.68 140.51 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 111.11 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.2 m -141.22 114.24 8.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.521 HG11 ' O ' ' A' ' 72' ' ' ALA . 22.0 t -97.3 100.67 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -97.66 123.67 41.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -72.59 137.34 80.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.456 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.9 Cg_endo -69.78 137.82 36.28 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.318 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 55.1 m -52.93 114.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -121.25 131.77 8.78 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 84.87 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.707 2.271 . . . . 0.0 112.31 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.3 t 37.45 42.78 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 98.5 p -100.43 133.01 45.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.542 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -78.37 -49.57 13.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.875 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 p -69.55 94.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.34 -65.49 1.16 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.5 p -129.9 138.13 50.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 m -94.81 118.8 32.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.43 106.69 0.46 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -48.34 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.47 HG11 ' CE2' ' A' ' 39' ' ' PHE . 6.9 p -160.77 120.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -112.52 135.03 53.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.524 HD12 HG23 ' A' ' 87' ' ' VAL . 33.2 mt -72.18 138.93 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.741 HD12 ' HG2' ' A' ' 33' ' ' GLU . 2.1 mt -99.4 -33.2 10.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.549 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 43.4 t -157.03 142.77 12.74 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.733 . . . . 0.0 110.9 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.82 168.25 68.33 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.317 0.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -85.21 -25.36 27.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -155.8 -177.06 6.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -55.68 131.89 47.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.454 HG22 ' HA ' ' A' ' 91' ' ' PHE . 29.5 m -110.49 167.93 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.7 p -135.69 126.13 26.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mt -134.38 158.9 42.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.1 m -141.5 145.63 35.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -151.31 173.38 14.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.491 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 85.6 m -111.79 144.61 40.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.143 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -45.13 142.62 1.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.0 m 63.22 48.69 3.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 23' ' ' THR . 33.0 mm-40 -127.59 177.46 6.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 ttt85 -106.44 118.11 35.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.4 t -115.33 136.24 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.703 HG22 HG12 ' A' ' 68' ' ' ILE . 34.5 t -141.06 111.99 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.0 mt -85.67 -175.63 5.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.6 m -156.63 143.55 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.2 t -156.08 139.99 16.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.741 ' HG2' HD12 ' A' ' 12' ' ' LEU . 20.4 tt0 -116.22 151.02 36.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.1 mt -128.53 172.76 10.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.7 t -95.87 -10.14 29.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -121.69 138.01 54.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.61 HG22 ' HG2' ' A' ' 63' ' ' ARG . 61.3 t -84.3 141.15 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 54.75 46.34 24.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 3.2 t80 -96.73 140.57 22.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.707 0.765 . . . . 0.0 110.827 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.559 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.8 147.76 63.33 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.642 2.228 . . . . 0.0 112.328 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.52 -177.6 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.0 m -155.99 142.67 18.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -96.64 135.54 38.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.485 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 87.9 m-85 -128.7 145.67 51.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -128.81 128.22 43.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 t0 53.52 26.47 5.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.47 28.3 55.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.462 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -139.34 126.6 21.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.485 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 40.7 tttm -47.37 128.29 11.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.4 m -74.79 146.17 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.173 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -100.7 108.97 20.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HA ' HD23 ' A' ' 56' ' ' LEU . 10.6 mt-10 -67.66 129.03 38.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.0 p -160.96 -175.6 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -58.42 -18.01 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.9 mt -97.05 -9.03 28.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.859 HD12 HD21 ' A' ' 69' ' ' LEU . 5.2 tp -129.92 109.82 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 t -106.2 126.14 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.0 t -118.99 121.6 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -105.72 134.54 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.5 ttt -126.35 107.17 10.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.07 111.01 12.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.46 ' CA ' HG13 ' A' ' 37' ' ' VAL . . . 47.82 -131.18 17.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.61 ' HG2' HG22 ' A' ' 37' ' ' VAL . 6.2 ptt-85 -91.13 41.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.923 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -139.58 114.63 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -117.92 122.82 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -137.68 148.44 45.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.716 HD23 ' N ' ' A' ' 68' ' ' ILE . 3.3 tt -113.6 135.17 54.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.716 ' N ' HD23 ' A' ' 67' ' ' LEU . 15.7 mt -117.27 153.88 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.859 HD21 HD12 ' A' ' 56' ' ' LEU . 72.9 mt -140.73 118.57 8.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.531 0.681 . . . . 0.0 110.955 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -38.98 6.92 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -134.44 88.15 2.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.19 106.37 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -92.09 -176.35 4.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.6 t -75.55 -32.41 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -72.96 -20.13 61.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.36 -13.01 59.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.4 p -69.36 119.93 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.59 -179.34 43.39 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.32 132.29 34.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -106.39 147.68 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -140.72 132.29 27.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 47.6 t -105.21 78.25 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -59.24 144.01 47.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.874 HG22 ' O ' ' A' ' 87' ' ' VAL . 13.7 t -153.09 175.72 12.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -74.67 61.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.58 -68.33 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.874 ' O ' HG22 ' A' ' 84' ' ' THR . 18.3 m -139.94 -178.52 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.88 160.18 40.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.16 175.62 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.083 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -147.77 120.25 8.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.454 ' HA ' HG22 ' A' ' 18' ' ' VAL . 75.6 m-85 -127.76 124.99 39.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.33 126.14 8.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.5 t -127.42 133.99 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 111.173 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.489 HG22 ' HG3' ' A' ' 96' ' ' GLN . 54.3 m -132.83 104.9 6.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.8 t -90.97 97.01 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.489 ' HG3' HG22 ' A' ' 94' ' ' THR . 13.5 mt-30 -91.53 123.61 35.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -65.27 141.18 98.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.568 0.699 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.444 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 54.1 Cg_endo -69.77 164.79 33.23 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.688 2.259 . . . . 0.0 112.354 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 98' ' ' PRO . 74.3 m 34.61 50.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.803 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -68.1 145.83 45.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -48.53 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.34 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.4 m -67.44 171.0 6.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m -153.82 106.94 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -119.06 122.49 42.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -97.55 156.27 16.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.9 -60.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 p -131.32 83.98 2.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 m -48.32 -46.11 36.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.63 157.84 2.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.434 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 9' ' ' VAL . 14.8 p -172.16 124.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -130.07 128.29 41.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.2 mt -48.07 147.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.491 HD12 ' HG2' ' A' ' 33' ' ' GLU . 5.0 mt -114.65 -34.83 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.501 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 66.1 m -153.07 127.65 4.65 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.654 0.74 . . . . 0.0 110.844 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.7 Cg_endo -69.75 -175.72 11.39 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.338 -0.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -97.42 -37.26 10.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -142.68 172.79 12.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.4 131.92 13.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.445 HG22 ' HA ' ' A' ' 91' ' ' PHE . 31.7 m -112.39 168.94 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -136.56 131.94 34.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mt -142.87 169.05 18.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m -143.15 144.34 32.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CD2' HG22 ' A' ' 28' ' ' VAL . 39.8 m-85 -139.25 173.18 11.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.482 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 59.5 m -112.98 143.9 43.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.0 m -46.88 146.13 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.4 p 62.07 48.16 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 23' ' ' THR . 7.9 mm-40 -133.21 176.28 8.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -102.55 116.7 33.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.484 HG22 ' CD2' ' A' ' 22' ' ' PHE . 82.7 t -110.69 115.14 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 p -130.87 120.44 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.18 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.6 mt -92.65 -174.99 3.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.5 m -155.21 135.67 13.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.7 t -142.62 144.68 32.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.491 ' HG2' HD12 ' A' ' 12' ' ' LEU . 38.8 tt0 -119.8 150.26 40.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.659 HD21 HG21 ' A' ' 84' ' ' THR . 40.3 mt -131.25 171.95 12.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.1 t -110.13 31.18 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -160.44 115.33 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.654 HG22 ' HG2' ' A' ' 63' ' ' ARG . 94.3 t -72.3 143.57 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.43 42.42 8.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.531 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 9.7 t80 -103.75 139.88 20.53 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.64 0.733 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.79 151.78 68.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 2.24 . . . . 0.0 112.327 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.71 170.3 17.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.4 m -151.3 142.33 23.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -95.38 134.23 38.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -129.04 130.56 46.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -117.91 127.42 53.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.5 t0 51.02 38.25 20.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.72 36.63 91.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -148.69 122.9 9.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -45.48 144.8 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 m -95.2 149.72 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 mp0 -100.27 135.48 41.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -85.79 118.36 25.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.2 p -160.08 175.26 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -51.21 -33.32 27.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.8 mt -77.83 -21.1 51.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.41 HD21 HD11 ' A' ' 67' ' ' LEU . 2.7 tt -127.05 107.54 10.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.7 t -102.0 131.97 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.1 t -126.13 119.92 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -100.85 156.13 17.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.7 ttp -143.49 115.07 8.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -132.09 105.45 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.611 ' CA ' HG13 ' A' ' 37' ' ' VAL . . . 43.39 -101.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.654 ' HG2' HG22 ' A' ' 37' ' ' VAL . 7.4 ptt180 -113.71 38.48 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -138.75 109.41 6.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -113.42 138.05 50.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -150.91 147.94 27.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.41 HD11 HD21 ' A' ' 56' ' ' LEU . 4.6 tt -111.29 122.08 46.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.5 mt -103.4 147.82 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.0 mt -134.81 119.69 13.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.728 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -36.87 10.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.7 2.267 . . . . 0.0 112.348 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -132.92 115.54 15.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.409 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -86.16 98.84 11.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.058 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -91.76 149.05 21.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.0 t -48.42 -32.85 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -65.76 -39.24 90.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -62.15 -8.84 6.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.8 m -66.66 99.19 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.95 -177.28 42.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -85.97 136.1 33.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.895 0.379 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -109.33 124.34 50.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -110.78 144.42 39.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.8 t -127.13 96.21 4.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -85.67 145.49 27.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.659 HG21 HD21 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -132.32 -75.49 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.542 ' H ' HG23 ' A' ' 84' ' ' THR . 16.1 tm-20 -116.54 -68.87 0.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.99 -20.51 2.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.6 m -116.15 176.47 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 0.0 111.1 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -157.56 153.0 26.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.69 136.56 41.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -108.51 124.27 50.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.445 ' HA ' HG22 ' A' ' 18' ' ' VAL . 42.9 m-85 -120.27 115.1 22.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.91 118.08 5.56 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.2 t -121.84 124.73 72.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 53.2 m -135.99 112.95 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 73.1 t -96.64 116.76 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -109.38 127.37 54.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -68.86 134.55 90.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.431 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.9 Cg_endo -69.75 159.93 51.57 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.7 t -88.86 98.01 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.828 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 179.98 -158.23 21.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 148.3 64.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 p -125.18 133.52 52.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 73.1 p -70.85 139.35 50.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p -51.89 152.8 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.834 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 p -168.04 142.64 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.83 166.24 15.01 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -39.17 119.55 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.834 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -111.75 138.06 48.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.835 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.64 84.85 0.32 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.47 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.86 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.619 2.213 . . . . 0.0 112.346 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 85' ' ' GLU . 9.5 p -155.15 127.28 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.471 ' CD2' ' HB2' ' A' ' 35' ' ' SER . 2.2 p-80 -124.16 161.76 25.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.63 HD13 ' HB2' ' A' ' 89' ' ' ALA . 75.0 mt -88.71 139.77 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.46 HD12 ' HG2' ' A' ' 33' ' ' GLU . 4.8 mt -102.71 -38.65 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.525 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 2.5 t -148.21 133.18 9.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.66 0.743 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.2 Cg_endo -69.75 -168.35 4.34 Favored 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.743 -1.774 . . . . 0.0 112.322 -0.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -111.93 -22.03 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -156.95 179.09 9.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -49.0 133.56 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 34.6 m -115.54 -175.33 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.411 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 1.7 t -151.94 138.87 19.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.411 ' HG ' ' C ' ' A' ' 19' ' ' SER . 5.9 mt -147.67 156.36 42.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 25.4 m -139.16 147.62 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 21' ' ' THR . 46.6 m-85 -151.21 173.1 14.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.495 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 30.1 m -111.13 140.02 46.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.455 ' HB ' ' CD ' ' A' ' 98' ' ' PRO . 96.3 m -44.69 146.98 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m 62.85 44.47 6.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 23' ' ' THR . 16.0 mm-40 -128.24 179.24 5.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -106.31 113.82 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 72' ' ' ALA . 80.9 t -109.24 133.25 55.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.817 HG13 HG13 ' A' ' 68' ' ' ILE . 24.1 t -140.64 112.05 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.6 mt -78.79 -175.81 4.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.0 m -157.2 145.75 19.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.9 t -162.31 155.33 20.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.46 ' HG2' HD12 ' A' ' 12' ' ' LEU . 17.8 tt0 -130.92 153.99 48.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.8 mt -127.37 172.37 10.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.471 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 3.4 t -93.0 -17.69 23.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.462 ' HG2' HG23 ' A' ' 9' ' ' VAL . 51.5 mmt-85 -123.64 139.42 54.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.507 HG22 ' H ' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -85.24 175.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.507 ' H ' HG22 ' A' ' 37' ' ' VAL . 36.1 t70 35.54 38.44 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.543 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 5.2 t80 -101.99 140.37 21.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.85 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.543 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.76 161.2 46.86 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.307 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.98 156.01 3.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.9 m -132.25 134.16 44.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -89.09 133.45 34.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -123.43 145.8 48.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.005 0.431 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -130.37 127.33 39.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.934 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 46.08 32.31 1.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.56 31.78 39.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -144.43 120.05 10.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -53.71 137.53 37.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.3 m -90.11 147.6 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -110.38 114.05 27.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -50.14 129.64 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 p -157.2 -176.33 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.26 -33.25 74.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.575 ' O ' HD23 ' A' ' 69' ' ' LEU . 38.5 mt -89.37 -1.6 58.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.604 HD21 HD11 ' A' ' 67' ' ' LEU . 3.6 tt -139.57 106.14 5.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 t -104.27 130.44 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.519 HG22 ' HG ' ' A' ' 67' ' ' LEU . 89.8 t -121.35 111.87 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -99.28 158.21 15.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.9 ttp -147.58 115.17 6.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -112.02 45.65 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.47 ' HA3' HG22 ' A' ' 37' ' ' VAL . . . 80.64 -88.68 1.32 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.448 ' HG2' ' C ' ' A' ' 36' ' ' ARG . 52.3 mtm180 -99.69 25.09 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.852 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -141.84 124.1 15.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -126.26 113.05 16.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -129.76 141.83 50.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.604 HD11 HD21 ' A' ' 56' ' ' LEU . 2.6 tt -107.4 121.99 45.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.817 HG13 HG13 ' A' ' 29' ' ' VAL . 12.7 mt -99.41 153.7 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 55' ' ' LEU . 30.3 mt -140.3 119.32 8.6 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.622 0.725 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -38.18 8.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -134.42 100.94 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.498 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -84.13 103.48 13.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -99.17 169.37 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.3 t -52.8 -32.34 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -69.36 -38.91 78.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -24.68 62.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.2 p -60.25 116.04 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 179.19 -177.16 48.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -97.74 128.47 44.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -107.16 155.95 19.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.451 ' C ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -151.0 140.0 21.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 39.3 t -106.23 83.56 1.91 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.405 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 13.4 ttt180 -64.68 134.07 53.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 87' ' ' VAL . 15.3 t -145.41 173.17 12.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.507 ' O ' HG12 ' A' ' 9' ' ' VAL . 1.1 tm-20 -72.21 68.54 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.06 -66.59 0.21 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.447 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.703 ' O ' HG22 ' A' ' 84' ' ' THR . 22.4 m -142.63 -177.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 111.086 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.78 148.8 37.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.63 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -101.55 166.16 10.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -136.26 123.22 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.467 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 83.7 m-85 -124.71 124.07 41.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.42 115.87 5.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.532 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.1 t -114.54 149.68 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.5 m -145.09 115.15 7.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.1 t -102.54 97.96 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -83.73 125.42 31.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -67.4 130.67 93.35 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.569 0.699 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.455 ' CD ' ' HB ' ' A' ' 24' ' ' THR . 53.7 Cg_endo -69.79 117.74 5.27 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.697 2.264 . . . . 0.0 112.372 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -151.27 106.33 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 147.81 147.68 4.59 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.523 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -3.34 11.83 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 53.3 p -46.68 108.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.3 p -46.96 132.83 11.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -128.29 -59.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.839 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -65.63 91.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.89 119.84 9.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 p -166.11 164.65 18.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.37 . . . . 0.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -151.09 153.53 35.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.61 148.73 22.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.545 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.421 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.76 -48.39 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 p -165.47 130.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -126.53 163.84 22.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 33' ' ' GLU . 30.8 mt -90.42 138.76 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.602 HD12 ' OE2' ' A' ' 33' ' ' GLU . 2.7 mt -104.78 -33.91 8.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.513 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 40.9 t -153.23 130.52 5.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.702 0.763 . . . . 0.0 110.823 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.9 Cg_endo -69.72 179.71 21.46 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.345 -0.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -100.14 -34.93 9.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -142.68 174.21 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 18.5 tptm -44.14 146.44 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 18.1 m -125.4 -179.92 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.5 p -150.97 119.07 6.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mt -130.78 156.43 44.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.435 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 19.7 m -140.07 155.04 47.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.452 ' CG ' HG22 ' A' ' 28' ' ' VAL . 78.0 m-85 -158.08 174.37 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.441 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 33.5 m -110.08 143.52 40.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.9 m -47.15 146.27 1.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 m 63.46 46.43 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 23' ' ' THR . 5.8 mm-40 -130.68 178.43 6.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.483 HH12 HG21 ' A' ' 29' ' ' VAL . 36.3 ttt-85 -106.1 116.75 32.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.452 HG22 ' CG ' ' A' ' 22' ' ' PHE . 84.5 t -114.44 128.52 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.624 HG13 ' CG1' ' A' ' 68' ' ' ILE . 28.3 t -133.49 124.4 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.9 mt -94.08 -177.1 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.1 m -158.3 142.25 15.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.8 t -150.54 158.03 43.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.602 ' OE2' HD12 ' A' ' 12' ' ' LEU . 32.7 tt0 -136.69 148.05 47.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.2 mt -126.29 172.57 9.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.7 p -87.45 -25.11 23.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.421 ' CZ ' ' O ' ' A' ' 8' ' ' PRO . 18.0 mtm180 -114.65 145.37 42.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.576 HG22 ' CA ' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -93.28 157.86 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t70 51.03 46.02 26.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.516 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 11.9 t80 -108.14 139.58 20.84 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.733 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.78 152.37 69.2 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.16 172.3 16.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.5 m -142.54 129.48 20.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.401 ' O ' HG22 ' A' ' 50' ' ' VAL . 76.8 m95 -88.67 125.79 35.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -119.06 139.23 52.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.932 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -126.89 132.05 51.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 t0 50.65 34.71 10.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.849 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.75 37.27 92.25 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -153.34 127.21 8.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -43.36 139.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 43' ' ' TRP . 31.5 m -84.73 155.72 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -105.69 107.09 17.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.03 117.54 6.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.7 t -159.11 -177.05 6.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -58.64 -33.72 70.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.4 mt -79.11 -14.59 59.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.45 HD21 HD21 ' A' ' 67' ' ' LEU . 5.8 tt -131.62 107.38 8.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.2 t -103.28 127.97 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.528 HG22 ' CD2' ' A' ' 67' ' ' LEU . 17.1 t -116.13 102.91 14.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -100.45 147.57 25.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -143.7 132.89 23.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -126.11 81.4 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.576 ' CA ' HG22 ' A' ' 37' ' ' VAL . . . 63.79 -84.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.02 34.08 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -139.84 112.72 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -111.65 126.39 54.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -137.04 144.68 43.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.528 ' CD2' HG22 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -110.82 116.85 31.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.624 ' CG1' HG13 ' A' ' 29' ' ' VAL . 50.7 mt -101.17 150.42 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.7 mt -138.04 118.69 10.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.722 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -38.4 7.99 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.384 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -135.06 93.81 3.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.93 101.06 5.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -95.56 166.86 11.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.4 t -54.74 -23.99 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -77.71 -26.85 50.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.77 -23.91 62.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 p -57.52 103.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.63 -179.79 41.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -98.84 133.13 43.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -107.35 153.8 22.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -148.79 129.37 14.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.9 t -98.67 82.99 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -64.23 131.64 47.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.767 HG22 ' O ' ' A' ' 87' ' ' VAL . 14.2 t -142.85 175.01 10.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -72.12 72.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 158.05 -67.38 0.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.767 ' O ' HG22 ' A' ' 84' ' ' THR . 29.6 m -141.46 -177.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 111.119 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.22 153.22 43.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.43 172.44 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.408 ' O ' HG22 ' A' ' 18' ' ' VAL . 57.0 m-85 -142.14 124.6 15.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.447 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 92.7 m-85 -127.77 115.22 18.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.74 114.92 4.63 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.96 131.35 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.0 m -126.9 121.85 32.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.6 t -104.67 99.69 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -87.1 125.54 34.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -68.24 133.0 91.5 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.84 61.34 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.9 m -113.3 -44.95 3.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -56.81 143.53 39.7 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 1.08 4.74 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.645 2.23 . . . . 0.0 112.374 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m 63.72 40.96 7.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 m -81.75 139.8 34.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.997 . . . . . . . . 0 0 . 1 . 006 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 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.5 p -106.19 147.56 28.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -63.62 163.35 11.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.35 -174.45 21.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t 64.63 42.77 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.389 . . . . 0.0 110.875 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m -84.15 176.5 8.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.814 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.17 128.54 3.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -50.2 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.771 HG11 ' CE2' ' A' ' 39' ' ' PHE . 4.6 p -149.7 128.45 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -128.95 134.51 48.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.739 HD12 HG23 ' A' ' 87' ' ' VAL . 29.1 mt -67.7 144.86 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt -110.8 -31.59 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.53 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 14.9 m -154.5 135.65 8.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.664 0.745 . . . . 0.0 110.819 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.8 Cg_endo -69.74 177.26 29.42 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.336 -0.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -92.53 -35.29 13.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -147.61 177.8 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -45.34 130.47 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 33.3 m -110.86 -178.12 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 t -152.57 134.05 14.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -143.2 158.4 43.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.7 m -138.63 152.83 48.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -155.55 171.01 20.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 35.1 m -107.11 149.68 27.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.8 m -49.53 144.31 5.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 m 62.66 47.36 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 23' ' ' THR . 6.2 mm-40 -126.8 174.24 8.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.0 ttt85 -103.51 121.81 43.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.2 t -116.82 133.36 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.692 HG13 HG13 ' A' ' 68' ' ' ILE . 24.7 t -140.44 109.81 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -78.14 -175.08 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.547 ' O ' ' CZ ' ' A' ' 91' ' ' PHE . 28.7 m -160.15 145.81 15.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.7 t -155.02 152.17 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -127.96 150.9 49.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 27.2 mt -134.07 169.82 16.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 t -104.14 34.84 2.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -161.21 118.94 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.509 HG22 ' HG2' ' A' ' 63' ' ' ARG . 41.3 t -73.72 146.23 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 t70 55.34 49.59 16.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.771 ' CE2' HG11 ' A' ' 9' ' ' VAL . 3.4 t80 -108.12 140.61 21.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.662 0.744 . . . . 0.0 110.89 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.0 Cg_endo -69.77 156.04 64.33 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.69 149.94 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.5 m -127.97 130.54 48.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.536 ' CD1' HG21 ' A' ' 58' ' ' VAL . 68.5 m95 -84.1 134.2 34.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -125.9 143.82 50.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.988 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -132.21 127.86 36.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 t0 51.2 36.27 15.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.59 35.9 75.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.434 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -149.06 118.53 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -46.3 139.25 4.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 m -91.3 143.68 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -104.76 104.71 14.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.481 ' CD ' HG12 ' A' ' 58' ' ' VAL . 25.5 mt-10 -51.9 112.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.6 p -140.81 -175.39 4.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.2 -32.41 71.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.3 mt -88.04 -13.33 41.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.951 HD21 HD11 ' A' ' 67' ' ' LEU . 4.8 tt -132.87 99.64 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' ILE . 59.6 t -101.89 151.49 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.536 HG21 ' CD1' ' A' ' 43' ' ' TRP . 3.4 p -154.61 125.29 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -104.44 166.25 10.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 ttp -145.08 105.11 4.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.8 t70 -107.1 102.15 11.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 47.98 -93.21 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.509 ' HG2' HG22 ' A' ' 37' ' ' VAL . 14.5 ptt180 -117.54 37.46 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -139.4 116.65 11.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -112.25 139.13 48.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -151.54 141.69 22.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.951 HD11 HD21 ' A' ' 56' ' ' LEU . 5.7 tt -109.96 121.73 45.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.692 HG13 HG13 ' A' ' 29' ' ' VAL . 26.3 mt -98.23 157.2 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.509 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 43.7 mt -143.98 119.15 6.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -39.84 5.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.656 2.237 . . . . 0.0 112.333 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -134.47 103.17 5.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.83 96.84 5.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.88 153.5 21.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.2 t -47.76 -29.54 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -76.9 -32.1 57.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -61.85 -21.96 65.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.0 p -64.37 125.96 26.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.9 -152.91 13.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -116.48 130.8 56.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.604 ' CE2' HD13 ' A' ' 67' ' ' LEU . 25.1 m-85 -106.36 154.13 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -148.03 130.27 15.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 11.8 t -99.38 74.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -58.17 134.34 56.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 87' ' ' VAL . 14.9 t -150.82 166.06 31.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.485 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -66.42 76.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.27 -72.03 0.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.739 HG23 HD12 ' A' ' 11' ' ' ILE . 30.8 m -137.59 175.9 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 111.109 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.4 147.64 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.16 179.75 4.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -151.13 127.65 10.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.547 ' CZ ' ' O ' ' A' ' 31' ' ' THR . 81.7 m-85 -128.1 119.03 24.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.54 120.36 5.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.4 t -120.85 143.87 31.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 0.0 111.111 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.2 m -140.87 112.69 7.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.5 t -98.48 112.75 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -107.14 126.16 52.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -66.41 138.91 95.96 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.594 0.711 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.451 ' HD3' HG22 ' A' ' 23' ' ' THR . 53.9 Cg_endo -69.77 142.76 48.74 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.357 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.2 m -81.55 113.77 19.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 143.85 141.09 3.73 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 165.14 31.88 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.701 2.267 . . . . 0.0 112.377 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.3 m -60.4 100.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 84.2 p 41.45 39.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -65.86 156.74 32.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -51.61 -48.25 63.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.69 -85.89 1.56 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 p -43.21 129.48 4.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 110.85 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -110.57 95.83 5.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.19 176.45 1.34 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.27 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.704 2.269 . . . . 0.0 112.378 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.407 ' CG1' ' HB2' ' A' ' 85' ' ' GLU . 7.3 p -164.68 134.59 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -135.51 130.94 35.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 89' ' ' ALA . 97.6 mt -52.91 150.25 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.469 HD12 ' HG2' ' A' ' 33' ' ' GLU . 6.2 mt -114.69 -35.28 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 1.6 t -149.24 132.73 8.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.741 . . . . 0.0 110.831 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.81 178.89 24.01 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.345 -0.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -96.59 -38.06 10.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' LYS . 2.0 p30 -140.54 164.07 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ASP . 29.5 tttt -35.43 130.01 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.532 HG22 ' HA ' ' A' ' 91' ' ' PHE . 14.2 m -109.66 155.8 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -125.63 126.99 45.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.7 mt -139.87 155.63 47.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -140.55 134.75 31.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.518 ' CG ' HG22 ' A' ' 28' ' ' VAL . 83.1 m-85 -134.01 165.39 25.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.434 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 89.1 m -103.57 150.8 23.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.168 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.8 m -52.16 144.6 12.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.8 m 64.07 49.88 2.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -135.71 178.43 7.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -103.24 116.24 32.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.518 HG22 ' CG ' ' A' ' 22' ' ' PHE . 87.9 t -110.52 112.58 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 p -127.87 122.61 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.7 mt -92.37 -174.79 3.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.6 m -153.57 135.54 14.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.0 t -146.69 141.59 26.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.469 ' HG2' HD12 ' A' ' 12' ' ' LEU . 14.9 tt0 -123.35 153.25 40.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.2 mt -129.91 171.62 12.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.3 p -89.4 -28.86 19.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -101.25 145.74 28.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.679 HG22 ' HG2' ' A' ' 63' ' ' ARG . 95.3 t -96.11 141.87 14.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.488 ' CG ' HG12 ' A' ' 37' ' ' VAL . 29.2 m-20 62.31 36.26 14.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.513 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 16.2 t80 -94.31 139.5 22.47 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.642 0.735 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.513 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.2 Cg_endo -69.78 149.52 66.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.622 2.215 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.42 174.7 13.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.5 m -149.75 144.6 26.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -97.51 125.59 42.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -122.86 136.86 55.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -123.28 132.7 54.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t70 46.79 37.97 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.39 40.15 97.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -150.73 124.16 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -47.38 140.76 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.4 m -88.94 152.46 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -107.63 98.52 8.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 mp0 -51.49 124.26 11.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 56' ' ' LEU . 24.0 p -162.18 174.43 12.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -49.28 -38.19 26.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 69' ' ' LEU . 97.3 mt -74.52 -21.8 59.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.591 ' HG ' HD21 ' A' ' 67' ' ' LEU . 5.9 tt -129.42 106.93 9.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.5 t -101.73 130.96 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.9 t -121.86 108.93 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -99.15 146.82 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.474 ' HG2' ' N ' ' A' ' 61' ' ' ASP . 2.4 ttt -124.45 147.65 48.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.474 ' N ' ' HG2' ' A' ' 60' ' ' MET . 4.8 m-20 -161.07 152.42 19.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 63' ' ' ARG . . . -35.14 121.64 0.49 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.679 ' HG2' HG22 ' A' ' 37' ' ' VAL . 2.6 ptp180 33.94 42.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.863 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -156.27 115.4 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -128.99 141.37 51.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -154.2 152.36 30.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.591 HD21 ' HG ' ' A' ' 56' ' ' LEU . 3.5 tt -113.66 126.2 55.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 69' ' ' LEU . 14.3 mt -103.61 152.3 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 55' ' ' LEU . 18.2 mt -139.99 119.42 8.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.719 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -39.4 6.52 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.632 2.221 . . . . 0.0 112.334 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -131.51 120.48 23.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.443 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -88.44 99.0 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' ASP . 12.2 pttm -94.82 146.35 24.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.933 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.9 t -42.21 -32.84 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -68.65 -38.23 80.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' LYS . 21.0 m-20 -52.56 -31.93 38.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.2 p -55.19 119.76 6.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.18 175.63 39.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -80.46 126.75 31.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -106.42 131.65 53.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 90' ' ' PHE . 5.6 tt0 -121.36 138.34 54.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 34.9 t -119.27 82.36 1.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -74.34 144.41 44.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.524 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -128.43 -75.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.524 ' H ' HG23 ' A' ' 84' ' ' THR . 0.9 OUTLIER -117.12 -65.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.21 -17.64 1.77 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.27 174.01 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.82 150.11 17.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.836 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.642 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -102.91 136.32 42.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 81' ' ' GLU . 3.4 m-85 -102.08 135.83 42.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.532 ' HA ' HG22 ' A' ' 18' ' ' VAL . 50.8 m-85 -126.95 113.78 16.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -84.07 110.16 3.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.438 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 84.1 t -112.51 145.09 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.4 m -142.28 112.31 6.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.9 t -95.28 111.58 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -104.83 128.79 53.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -73.56 134.91 78.81 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.635 0.731 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.434 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.5 Cg_endo -69.77 171.47 14.42 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 m -89.41 92.31 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -177.25 161.75 29.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -41.03 4.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.7 m 46.87 42.26 11.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.2 m -132.21 128.83 38.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -83.68 167.0 17.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -165.86 149.47 7.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.91 122.12 11.34 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.6 p -128.62 42.78 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 p -92.24 -51.49 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.35 151.75 18.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -47.75 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.655 2.236 . . . . 0.0 112.323 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.513 HG11 ' CE2' ' A' ' 39' ' ' PHE . 6.3 p -158.73 138.56 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -136.82 147.32 46.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.455 ' H ' HG21 ' A' ' 87' ' ' VAL . 70.2 mt -73.93 145.81 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.522 HD12 ' CD ' ' A' ' 33' ' ' GLU . 3.4 mt -109.36 -33.48 6.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.538 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 47.6 t -155.47 136.68 9.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.75 -178.11 16.0 Favored 'Cis proline' 0 C--O 1.231 0.15 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.322 -0.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -97.31 -34.72 10.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -145.04 167.43 22.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -40.22 131.66 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 91' ' ' PHE . 21.5 m -108.54 -179.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 t -144.68 132.03 20.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mt -144.44 158.14 43.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.6 m -143.1 140.48 30.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -141.73 175.16 9.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.2 m -108.11 145.13 34.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.9 m -51.4 140.55 17.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.4 m 69.32 48.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -133.07 163.62 28.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -94.75 114.74 26.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.3 t -108.17 143.65 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.803 HG22 HG12 ' A' ' 68' ' ' ILE . 59.8 t -145.52 105.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.5 mt -75.83 -174.97 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 m -161.34 136.37 7.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.4 t -151.98 146.98 26.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.522 ' CD ' HD12 ' A' ' 12' ' ' LEU . 50.9 tt0 -118.7 153.04 35.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.0 mt -135.13 175.31 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 t -107.48 32.14 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.441 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 26.0 mtp85 -159.32 121.53 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.632 HG13 ' HA2' ' A' ' 62' ' ' GLY . 25.5 t -75.72 144.2 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 50.16 51.56 16.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.529 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 10.5 t80 -104.21 139.66 20.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.79 142.73 48.59 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.657 2.238 . . . . 0.0 112.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.94 170.54 21.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.6 m -146.72 113.17 5.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -70.51 135.65 48.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 63.8 m-85 -126.11 135.61 51.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -124.48 128.74 49.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 t70 49.48 41.31 20.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.03 39.37 97.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.461 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -148.45 130.62 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 39.4 tttt -56.25 141.85 39.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.4 m -93.67 154.61 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -107.28 126.36 52.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -75.91 111.79 11.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 t -157.88 177.69 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.799 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -49.08 -39.64 28.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.7 mt -71.02 -23.39 62.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.682 ' HG ' HD21 ' A' ' 67' ' ' LEU . 8.0 tt -131.15 105.48 7.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.1 t -102.49 137.88 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.0 t -129.0 123.89 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -119.12 162.52 18.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 31.0 ttp -141.16 113.87 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.96 77.2 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.632 ' HA2' HG13 ' A' ' 37' ' ' VAL . . . 39.28 93.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HG3' HG22 ' A' ' 37' ' ' VAL . 64.3 mtt180 65.32 25.37 12.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.901 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -133.79 105.79 6.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -109.57 116.26 31.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -132.44 144.2 50.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.682 HD21 ' HG ' ' A' ' 56' ' ' LEU . 3.2 tt -111.03 122.37 47.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.803 HG12 HG22 ' A' ' 29' ' ' VAL . 17.4 mt -102.16 152.51 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.424 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 29.2 mt -139.08 118.86 9.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -37.59 8.81 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.664 2.243 . . . . 0.0 112.304 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -134.02 99.72 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.55 98.78 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -91.99 -179.07 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.64 -27.68 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -66.15 -43.13 87.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.37 -11.99 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -69.08 90.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -161.46 -144.79 4.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -126.55 133.95 50.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.588 ' CE2' HD13 ' A' ' 67' ' ' LEU . 9.3 m-85 -106.48 163.89 12.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -157.15 131.31 8.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 52.5 t -97.09 77.52 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -59.07 124.41 19.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.824 HG22 ' O ' ' A' ' 87' ' ' VAL . 14.5 t -138.36 165.73 26.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.06 80.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.96 -69.16 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.824 ' O ' HG22 ' A' ' 84' ' ' THR . 27.7 m -135.7 -177.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.09 154.09 37.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.43 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -105.78 171.66 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -141.77 120.69 12.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.441 ' HA ' HG22 ' A' ' 18' ' ' VAL . 87.2 m-85 -119.03 112.26 19.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.32 95.79 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 97.1 t -97.96 143.5 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.398 . . . . 0.0 111.09 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.1 m -147.24 112.46 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.212 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.7 t -95.71 108.58 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -98.01 122.91 41.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -61.61 139.68 95.16 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.573 0.701 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -169.72 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.232 . . . . 0.0 112.351 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.5 m -157.7 169.79 23.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 65.82 146.32 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.5 Cg_endo -69.76 1.52 4.36 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 101' ' ' PRO . 34.4 t -35.31 -60.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.8 m -89.38 115.19 26.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -43.73 152.1 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.854 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 m -122.0 137.97 54.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.79 59.54 4.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t -90.05 158.29 17.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.904 0.383 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -76.97 96.01 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.14 161.86 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.45 0.73 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.511 HG12 ' O ' ' A' ' 85' ' ' GLU . 6.3 p -148.21 129.59 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -127.6 133.78 49.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.427 HD13 ' HB2' ' A' ' 89' ' ' ALA . 62.6 mt -69.4 144.44 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mt -107.86 -37.86 5.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.519 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 39.7 t -150.2 135.52 9.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.71 -178.27 16.28 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.386 -0.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -96.36 -40.44 9.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -143.62 173.93 11.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -40.52 132.62 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 27.4 m -113.56 178.5 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 m -147.95 122.83 10.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -133.72 162.0 33.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.5 m -140.02 150.87 44.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.738 ' CD2' HG22 ' A' ' 28' ' ' VAL . 82.0 m-85 -151.93 175.26 12.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 24' ' ' THR . 23.1 m -111.09 155.41 22.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.147 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.413 ' N ' HG22 ' A' ' 23' ' ' THR . 60.5 m -61.32 140.87 57.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 66.23 47.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -131.19 175.8 8.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.4 ttt85 -104.26 112.89 26.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.738 HG22 ' CD2' ' A' ' 22' ' ' PHE . 54.4 t -109.55 132.95 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.691 HG13 ' CG1' ' A' ' 68' ' ' ILE . 16.7 t -138.34 114.45 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.5 mt -81.44 -175.06 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 m -157.69 142.72 16.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.1 t -163.44 133.97 4.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -107.53 142.5 37.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.511 HD12 ' CE1' ' A' ' 65' ' ' HIS . 27.7 mt -116.42 171.99 7.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 t -108.65 25.83 11.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.472 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 13.3 mtp85 -150.57 117.7 5.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.49 HG22 ' HG3' ' A' ' 63' ' ' ARG . 98.6 t -75.23 136.58 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 62.14 42.68 9.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.48 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 3.8 t80 -103.4 139.09 19.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.48 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.4 Cg_endo -69.81 150.0 67.3 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.3 159.74 37.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.2 m -138.77 120.8 15.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -81.21 138.48 35.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.512 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 69.3 m-85 -129.29 135.81 49.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.955 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -117.9 132.89 56.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 t70 46.24 38.83 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.45 37.44 92.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.507 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -148.26 128.86 14.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.512 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 16.7 ttmt -48.33 144.31 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.405 ' HB ' ' CD1' ' A' ' 56' ' ' LEU . 16.3 m -94.4 147.6 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -102.38 115.6 30.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.0 115.21 5.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 t -156.75 179.35 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -55.45 -31.06 61.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.5 mt -80.41 -16.56 54.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.462 ' HG ' HD11 ' A' ' 67' ' ' LEU . 9.5 tt -131.49 107.34 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.8 t -105.06 132.72 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.839 HG22 HD22 ' A' ' 67' ' ' LEU . 92.1 t -124.42 120.43 59.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -104.75 134.41 47.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -125.15 119.02 27.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -133.78 102.1 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.421 ' CA ' HG13 ' A' ' 37' ' ' VAL . . . 44.58 -98.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HG3' HG22 ' A' ' 37' ' ' VAL . 58.3 mtm180 -112.01 38.04 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.367 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -135.2 113.28 11.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.511 ' CE1' HD12 ' A' ' 34' ' ' LEU . 52.2 m80 -122.94 126.06 46.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -142.36 161.39 38.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.839 HD22 HG22 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -121.69 118.42 29.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.691 ' CG1' HG13 ' A' ' 29' ' ' VAL . 61.5 mt -100.98 153.37 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.431 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 45.6 mt -142.42 118.48 6.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 110.918 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -37.31 9.46 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -133.42 98.81 4.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.21 92.34 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.085 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -84.65 153.83 22.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.2 t -43.15 -38.08 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -60.55 -41.19 94.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -48.88 -35.21 14.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.5 p -48.46 103.76 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.21 -151.74 7.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -123.6 129.15 50.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -107.0 144.03 34.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -138.09 130.15 28.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 48.7 t -91.83 76.28 5.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -59.57 127.25 31.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.769 HG22 ' O ' ' A' ' 87' ' ' VAL . 14.8 t -143.49 167.27 22.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.511 ' O ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -65.69 79.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 151.47 -72.72 0.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.769 ' O ' HG22 ' A' ' 84' ' ' THR . 35.7 m -136.68 -177.25 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 111.13 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.17 150.73 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.427 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -103.28 172.11 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -134.92 129.5 34.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.468 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 94.5 m-85 -128.52 123.5 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.98 120.38 6.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 94.2 t -117.57 135.78 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 111.189 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 52.8 m -130.42 109.95 11.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.0 t -95.91 105.3 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -97.78 125.82 42.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -72.08 130.43 86.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.634 0.73 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 113.22 3.3 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.4 m -63.72 111.51 2.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.69 -173.0 45.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.526 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 110.21 2.5 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 t -105.03 150.79 24.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 t -118.03 -57.6 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.524 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.0 t -113.87 107.52 15.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.934 0.397 . . . . 0.0 110.826 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 t -130.26 157.69 41.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.815 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -179.88 -136.01 2.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 4' ' ' GLY . 51.8 p -34.94 144.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 t -91.12 85.11 5.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.85 81.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -50.05 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.8 p -159.33 136.25 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.167 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -129.0 133.95 47.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.7 mt -57.31 148.15 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 mt -116.47 -34.82 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.508 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 29.6 t -150.01 129.17 6.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.687 0.756 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.77 -174.02 9.11 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.364 -0.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -101.11 -36.66 8.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -145.0 175.88 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 tptm -48.51 130.79 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 28.4 m -110.47 170.23 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.407 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 11.4 t -135.07 132.13 37.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.407 ' HG ' ' C ' ' A' ' 19' ' ' SER . 5.6 mt -147.25 149.38 32.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 m -131.69 131.94 43.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -132.75 169.02 17.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 25.6 m -110.58 151.44 27.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.3 m -51.62 149.64 4.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 p 60.49 45.45 10.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 23' ' ' THR . 9.4 mm-40 -129.4 176.1 8.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -104.1 117.34 34.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.3 t -114.5 114.2 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -127.96 116.16 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.6 mt -87.53 -175.01 5.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.0 m -157.52 135.24 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.2 t -141.56 153.99 45.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -134.24 151.75 51.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.5 mt -127.61 173.94 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -87.19 -22.97 24.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -116.72 145.46 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.537 HG13 ' OD2' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -91.8 163.1 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.537 ' OD2' HG13 ' A' ' 37' ' ' VAL . 2.9 p30 47.31 42.09 13.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.515 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 23.0 t80 -103.34 139.29 19.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.2 Cg_endo -69.72 149.35 67.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -161.1 177.82 9.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.3 m -154.49 141.6 19.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -94.13 143.81 26.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.449 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 96.9 m-85 -140.32 151.25 44.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -131.92 126.47 34.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 51.71 38.06 21.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.83 29.97 66.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -133.75 155.8 49.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.449 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 74.4 tttt -83.8 126.7 33.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.1 m -75.06 157.43 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -112.59 107.42 16.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -59.7 118.24 5.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 p -154.8 -178.44 7.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -54.96 -38.09 67.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.5 mt -80.35 -10.44 59.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.652 HD21 HD11 ' A' ' 67' ' ' LEU . 1.5 tt -131.01 104.9 7.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.4 t -102.12 135.62 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.657 HG22 ' HG ' ' A' ' 67' ' ' LEU . 89.3 t -128.15 104.83 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -99.26 134.21 42.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.419 ' SD ' ' C ' ' A' ' 60' ' ' MET . 0.4 OUTLIER -121.32 134.98 55.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -134.76 88.61 2.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.474 ' CA ' HG22 ' A' ' 37' ' ' VAL . . . 51.79 -95.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.421 ' HG2' HG23 ' A' ' 37' ' ' VAL . 10.7 ptt180 -109.62 32.13 5.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -142.41 107.59 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -111.19 130.33 55.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -140.83 142.38 34.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.657 ' HG ' HG22 ' A' ' 58' ' ' VAL . 2.4 tt -107.35 124.2 49.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.4 mt -103.26 148.36 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.491 HD13 ' OD2' ' A' ' 76' ' ' ASP . 53.6 mt -137.14 119.67 11.45 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.615 0.722 . . . . 0.0 110.958 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -36.08 11.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -132.81 114.71 14.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.25 95.07 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -86.93 148.07 25.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.5 t -42.2 -37.01 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -64.64 -40.52 95.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.491 ' OD2' HD13 ' A' ' 69' ' ' LEU . 20.0 t0 -49.56 -31.77 11.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 p -55.06 124.74 17.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.17 176.42 32.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -80.62 131.81 35.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -107.1 128.34 54.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -116.67 136.67 52.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 17.3 t -114.72 78.24 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.2 mtp85 -66.06 128.72 37.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -116.22 -74.3 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.448 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 4.5 tp10 -119.69 -64.9 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.14 -22.26 1.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.435 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.7 m -113.33 172.78 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.29 162.58 40.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.78 170.17 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.03 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -135.56 115.37 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.468 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 79.7 m-85 -115.72 113.91 24.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.48 117.56 4.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.2 t -120.55 145.94 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.927 0.394 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.559 HG22 ' HG3' ' A' ' 96' ' ' GLN . 96.7 m -142.31 109.4 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.1 t -96.27 96.76 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.559 ' HG3' HG22 ' A' ' 94' ' ' THR . 75.4 mt-30 -95.41 122.35 38.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -63.27 134.83 95.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.565 0.698 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.448 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.3 Cg_endo -69.81 156.32 63.5 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.8 m -47.73 -49.4 28.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -123.54 145.12 15.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.476 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 127.04 13.97 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -115.93 131.47 56.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.3 t -132.74 -49.6 0.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.5 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.4 p -90.73 106.99 18.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.38 . . . . 0.0 110.849 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -157.45 147.78 20.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.88 120.66 6.93 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' SER . 68.1 m -72.25 128.79 36.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.852 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' SER . 35.3 t -35.91 -63.04 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.24 147.95 27.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.536 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.8 p -164.72 153.62 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -154.93 135.04 13.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -60.5 145.81 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 mt -110.39 -36.16 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 2.2 t -152.32 137.22 10.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.676 0.751 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.74 -176.16 12.12 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.378 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -99.88 -37.5 9.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.24 170.04 16.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.2 tptm -44.62 134.0 5.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 30.6 m -113.56 170.95 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.1 p -142.47 131.8 23.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -140.91 165.94 26.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.1 m -142.49 144.53 33.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -145.58 170.55 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.402 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 57.7 m -113.37 152.8 29.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.2 m -51.99 143.91 12.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 m 62.54 49.01 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.801 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -130.32 178.35 6.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -104.43 114.2 28.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 72' ' ' ALA . 96.6 t -108.15 112.69 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.14 109.81 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.7 mt -79.28 -174.38 4.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.47 ' O ' ' CE2' ' A' ' 91' ' ' PHE . 21.9 m -155.34 137.17 14.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.1 t -151.74 148.41 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -124.85 155.79 38.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.474 HD12 ' CE1' ' A' ' 65' ' ' HIS . 60.0 mt -136.21 -177.47 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 t -114.77 8.32 16.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.438 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 2.4 mmp_? -135.27 140.9 45.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.561 HG22 ' HG3' ' A' ' 63' ' ' ARG . 71.0 t -96.11 153.12 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.412 ' N ' HG12 ' A' ' 37' ' ' VAL . 28.9 m-20 51.97 31.76 9.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.529 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 6.7 t80 -91.4 140.07 25.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.65 0.738 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.2 Cg_endo -69.78 148.16 64.31 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.254 . . . . 0.0 112.347 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.75 170.03 19.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.5 m -154.5 136.92 14.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -88.27 138.23 31.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 96.5 m-85 -132.98 132.75 42.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -117.27 128.28 54.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 50.26 42.95 26.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.52 38.2 95.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.476 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -146.91 124.56 11.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.532 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 43.3 tttm -50.2 144.72 6.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.3 m -90.28 151.77 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -98.92 119.38 37.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -77.29 115.59 17.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.7 p -159.15 -179.38 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -53.92 -34.35 59.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.9 mt -79.43 -11.81 59.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.486 HD21 HD11 ' A' ' 67' ' ' LEU . 2.3 tt -132.7 105.55 7.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.704 HG12 ' HD3' ' A' ' 59' ' ' LYS . 13.9 t -102.01 125.67 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.2 t -112.46 112.65 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.704 ' HD3' HG12 ' A' ' 57' ' ' VAL . 5.6 mmmm -102.42 133.79 46.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.3 ttp -123.47 102.13 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.16 75.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.15 -95.87 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.509 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.561 ' HG3' HG22 ' A' ' 37' ' ' VAL . 25.2 mtt180 -95.59 -19.11 20.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -93.24 123.34 36.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.474 ' CE1' HD12 ' A' ' 34' ' ' LEU . 22.7 m80 -123.21 129.26 51.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.823 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -142.24 155.02 45.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.486 HD11 HD21 ' A' ' 56' ' ' LEU . 3.1 tt -119.09 123.56 44.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.441 ' N ' HD23 ' A' ' 67' ' ' LEU . 17.5 mt -100.0 151.34 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 30.8 mt -140.3 119.2 8.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.616 0.722 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -38.93 7.18 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.379 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -129.35 109.87 11.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.486 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -80.25 93.23 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -84.59 146.08 27.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.9 t -43.76 -31.58 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -68.93 -39.28 79.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -52.15 -33.52 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 p -52.67 139.2 26.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.37 -159.48 28.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -103.72 129.64 51.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -107.43 130.56 54.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -119.95 132.23 55.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.0 t -110.1 95.97 5.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -86.79 150.84 23.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.699 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -135.0 -75.12 0.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.699 ' H ' HG23 ' A' ' 84' ' ' THR . 17.9 tt0 -118.28 -65.16 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.33 -22.74 1.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.2 m -114.88 158.64 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.53 168.35 19.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.4 ' C ' ' CD1' ' A' ' 90' ' ' PHE . . . -108.18 179.18 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 89' ' ' ALA . 55.4 m-85 -146.94 125.39 12.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.471 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 62.4 m-85 -128.82 117.78 21.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.72 130.09 9.48 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.4 t -131.25 142.64 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 64.3 m -141.18 109.43 5.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.7 t -94.04 100.76 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -94.24 121.7 36.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -66.24 133.05 94.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.402 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.1 Cg_endo -69.81 179.89 3.4 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 t -98.69 78.99 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -145.82 131.49 4.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 126.15 12.98 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.642 2.228 . . . . 0.0 112.381 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.4 t -158.39 132.0 7.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.4 p -65.82 -19.49 65.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -50.62 150.38 2.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t 53.05 30.65 9.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.83 154.96 19.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 m -66.86 172.13 4.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.7 p -76.74 121.4 23.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.36 120.66 3.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.64 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 85' ' ' GLU . 1.5 p -142.27 132.13 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -134.69 131.38 37.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.475 ' H ' HG21 ' A' ' 87' ' ' VAL . 49.9 mt -66.5 139.7 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -105.44 -32.6 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.523 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 30.1 t -158.85 130.83 4.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.654 0.74 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.3 Cg_endo -69.82 -169.89 5.46 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.342 0.074 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -125.54 -29.48 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -135.39 158.58 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' HE2' ' CD ' ' A' ' 79' ' ' GLU . 16.3 tptp -40.06 129.95 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 91' ' ' PHE . 16.7 m -108.79 178.04 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -149.97 118.72 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mt -130.61 153.76 48.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.9 m -139.88 136.2 33.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.537 ' CG ' HG22 ' A' ' 28' ' ' VAL . 93.9 m-85 -135.58 167.05 21.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.488 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 78.1 m -102.92 144.66 30.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.132 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 25' ' ' SER . 91.1 m -46.13 156.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.467 ' N ' HG22 ' A' ' 24' ' ' THR . 96.4 p 51.78 51.0 17.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 23' ' ' THR . 31.5 mm-40 -137.52 174.16 10.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -99.16 115.88 30.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.537 HG22 ' CG ' ' A' ' 22' ' ' PHE . 79.2 t -110.61 116.04 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.17 119.32 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.7 mt -89.31 -176.69 5.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 m -150.41 143.07 24.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.7 t -153.89 145.47 23.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -123.56 150.32 44.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.9 mt -130.75 173.97 10.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 t -105.99 5.87 30.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' C ' ' HG3' ' A' ' 63' ' ' ARG . 13.4 mtp180 -130.68 117.05 18.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.636 HG13 ' HA2' ' A' ' 62' ' ' GLY . 96.0 t -73.62 136.7 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t0 63.91 52.93 2.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.53 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.2 t80 -113.32 140.59 24.56 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.73 163.09 39.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.87 163.16 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.3 m -141.41 123.27 15.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.485 ' O ' HG22 ' A' ' 50' ' ' VAL . 85.6 m95 -77.83 132.24 37.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -123.98 133.39 53.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -113.75 130.08 56.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 t0 49.95 39.81 19.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.13 22.81 77.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -128.05 155.98 43.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -80.26 127.11 31.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 43' ' ' TRP . 4.9 m -83.54 155.54 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -108.26 140.61 41.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -87.63 113.91 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -151.78 -176.18 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -58.74 -25.76 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.713 ' O ' HD23 ' A' ' 69' ' ' LEU . 75.6 mt -88.77 -13.33 39.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 67' ' ' LEU . 1.3 tt -133.46 105.05 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 t -102.13 135.67 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.9 t -125.82 108.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -99.18 135.35 40.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.6 ttt -116.14 153.11 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -164.2 156.68 17.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.636 ' HA2' HG13 ' A' ' 37' ' ' VAL . . . -39.84 106.03 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.465 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.422 ' HG3' ' C ' ' A' ' 36' ' ' ARG . 50.6 mtt180 53.85 42.68 31.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.893 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -154.5 122.58 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -137.03 115.06 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -129.59 148.94 51.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 68' ' ' ILE . 3.5 tt -111.35 122.19 47.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.561 ' N ' HD23 ' A' ' 67' ' ' LEU . 22.1 mt -100.78 152.11 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.713 HD23 ' O ' ' A' ' 55' ' ' LEU . 10.7 mt -140.04 119.55 8.88 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.601 0.715 . . . . 0.0 110.912 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -37.37 9.21 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -134.02 112.8 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -86.19 94.27 9.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -88.24 152.47 21.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.2 t -49.11 -29.69 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -69.12 -34.89 75.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.61 -10.45 56.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 m -68.9 104.96 2.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.08 -159.82 20.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.454 ' OE2' ' N ' ' A' ' 91' ' ' PHE . 32.6 tp10 -107.85 134.45 50.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.457 ' CE2' HD13 ' A' ' 67' ' ' LEU . 22.7 m-85 -106.28 153.79 21.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -150.23 131.55 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 52.9 t -99.76 76.1 1.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -57.95 133.82 55.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 87' ' ' VAL . 13.2 t -152.13 166.78 30.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 7.1 tp10 -69.47 77.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 156.74 -68.51 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.737 ' O ' HG22 ' A' ' 84' ' ' THR . 36.0 m -140.88 -177.71 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.21 146.13 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.49 165.83 10.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -136.33 122.11 19.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.457 ' HA ' HG22 ' A' ' 18' ' ' VAL . 77.6 m-85 -123.52 117.16 24.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.4 ' N ' ' NZ ' ' A' ' 17' ' ' LYS . . . -89.04 104.59 3.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 98.1 t -103.14 142.77 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.404 HG22 ' HG3' ' A' ' 96' ' ' GLN . 18.1 m -139.95 120.2 13.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.489 HG11 ' O ' ' A' ' 72' ' ' ALA . 11.7 t -105.29 101.78 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.404 ' HG3' HG22 ' A' ' 94' ' ' THR . 67.2 mt-30 -97.01 118.49 33.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -56.22 133.37 75.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.14 25.31 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.9 t -93.37 84.04 4.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -48.49 145.03 6.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 129.52 17.75 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 m -104.86 90.97 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 82.7 p -88.43 134.48 33.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -97.45 146.92 24.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.363 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -79.03 -43.5 24.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.2 145.29 10.57 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 m -56.16 150.26 14.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.9 p -58.96 111.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . 90.99 95.76 1.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HD2' ' HA2' ' A' ' 7' ' ' GLY . 53.6 Cg_endo -69.72 -46.67 1.16 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.267 . . . . 0.0 112.324 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.878 HG11 ' CE2' ' A' ' 39' ' ' PHE . 5.9 p -133.86 113.11 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -113.49 142.31 46.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.67 ' H ' HG21 ' A' ' 87' ' ' VAL . 53.2 mt -79.94 138.45 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.43 HD12 ' CD ' ' A' ' 33' ' ' GLU . 1.2 mt -98.84 -31.6 11.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 3.4 m -159.97 144.15 10.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.709 0.766 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.0 Cg_endo -69.72 171.88 51.46 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.346 -0.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -89.62 -29.14 19.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -148.93 165.27 32.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.18 129.1 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.6 m -110.58 153.8 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -118.85 136.14 54.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mt -138.05 157.2 46.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -143.5 137.21 28.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.413 ' CG ' HG22 ' A' ' 28' ' ' VAL . 63.0 m-85 -143.21 179.24 7.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.437 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 52.9 m -115.74 141.9 47.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.0 m -47.33 139.68 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.6 t 72.67 44.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -134.46 174.12 10.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -98.5 121.42 40.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.413 HG22 ' CG ' ' A' ' 22' ' ' PHE . 78.3 t -118.51 116.0 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -125.93 117.36 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.441 HD22 ' HB3' ' A' ' 91' ' ' PHE . 34.6 mt -84.22 -174.74 5.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 m -154.87 145.8 22.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.2 t -158.09 151.42 23.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.43 ' CD ' HD12 ' A' ' 12' ' ' LEU . 73.1 tt0 -128.35 146.17 50.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.2 mt -124.08 -176.04 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 p -113.98 2.75 15.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.433 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 30.1 mtp180 -134.18 129.68 36.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.793 HG13 ' HA2' ' A' ' 62' ' ' GLY . 7.6 t -77.32 143.31 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 56.17 45.05 24.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.878 ' CE2' HG11 ' A' ' 9' ' ' VAL . 7.2 t80 -98.65 139.96 21.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.685 0.755 . . . . 0.0 110.844 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.81 143.37 50.38 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.42 154.42 22.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.5 m -133.72 134.24 42.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -88.91 143.23 27.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.546 ' CD2' ' HA ' ' A' ' 49' ' ' LYS . 92.0 m-85 -136.03 145.66 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -127.29 128.49 46.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 t70 54.93 30.97 14.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.32 21.98 71.7 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.507 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -125.99 152.33 45.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.546 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 25.3 ttmt -75.39 127.97 34.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.3 m -79.06 167.66 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -124.1 140.1 53.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -88.18 117.53 27.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.7 p -156.95 -175.17 5.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -59.17 -32.8 70.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.6 mt -82.38 -15.23 53.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.61 HD21 HD11 ' A' ' 67' ' ' LEU . 1.2 tt -133.41 106.59 7.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.9 t -105.17 128.77 58.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.57 106.18 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -99.24 131.63 45.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.552 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 3.4 ttt -113.22 166.44 11.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 60' ' ' MET . 3.1 t0 -174.63 167.22 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.793 ' HA2' HG13 ' A' ' 37' ' ' VAL . . . -45.32 109.29 0.29 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.433 ' HG2' ' C ' ' A' ' 36' ' ' ARG . 51.6 mtt180 44.74 33.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -148.26 119.22 7.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -134.27 140.65 46.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -148.37 149.4 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.61 HD11 HD21 ' A' ' 56' ' ' LEU . 2.1 tt -109.33 119.92 40.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 69' ' ' LEU . 11.4 mt -98.47 151.86 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 51.0 mt -140.8 119.25 8.19 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.617 0.722 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -37.92 8.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.239 . . . . 0.0 112.322 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -134.95 103.84 5.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.849 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -74.94 90.38 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -80.33 156.89 26.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.64 -20.69 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -80.35 -26.4 38.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.94 -12.17 60.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.5 p -69.57 129.26 39.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.51 -152.9 23.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.452 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -110.2 131.63 54.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -107.8 148.15 29.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -141.88 135.27 29.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.9 t -99.8 91.06 4.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.7 ttp85 -65.48 119.94 11.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 87' ' ' VAL . 0.6 OUTLIER -136.6 164.22 28.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.472 ' O ' HG12 ' A' ' 9' ' ' VAL . 12.9 mt-10 -75.85 60.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 177.4 -64.95 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.67 HG21 ' H ' ' A' ' 11' ' ' ILE . 2.1 m -139.75 179.16 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.85 142.03 44.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.36 170.76 7.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -142.01 128.04 19.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.441 ' HB3' HD22 ' A' ' 30' ' ' LEU . 87.3 m-85 -129.12 116.74 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -84.18 125.91 7.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 70.0 t -129.33 124.29 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 98.0 m -126.37 100.29 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.849 HG11 ' O ' ' A' ' 72' ' ' ALA . 11.3 t -88.63 98.9 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -91.07 128.54 36.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.75 133.42 73.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.437 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.7 Cg_endo -69.84 91.08 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.8 m -46.25 148.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.22 169.95 39.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 107.78 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.627 2.218 . . . . 0.0 112.37 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 t -64.54 135.33 55.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.9 m -101.78 176.64 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 p -101.81 114.99 29.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.826 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -113.02 148.02 35.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.41 170.34 0.21 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -165.53 137.31 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 t -55.94 128.66 36.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.92 138.77 4.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -50.63 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.277 . . . . 0.0 112.317 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.6 p -163.53 118.78 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -106.75 163.47 12.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.586 HD13 ' CD2' ' A' ' 34' ' ' LEU . 3.1 mm -88.02 147.15 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mt -115.97 -32.64 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 36.1 t -157.5 127.1 3.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.8 Cg_endo -69.82 -173.84 8.95 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.317 0.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -99.91 -37.62 8.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.04 -70.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -155.95 142.31 18.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 14' ' ' PRO . 17.7 m -113.38 155.87 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -122.84 129.39 51.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mt -143.55 144.43 31.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -126.86 137.6 53.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -140.28 170.97 14.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.45 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 90.3 m -111.5 142.37 43.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.188 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.7 m -42.52 140.59 1.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.3 m 66.34 48.43 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 23' ' ' THR . 12.1 mm-40 -132.46 178.87 6.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -100.25 122.4 42.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.477 HG23 ' HB2' ' A' ' 72' ' ' ALA . 67.1 t -119.42 112.85 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.1 p -126.64 119.45 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.41 -174.74 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.5 m -155.55 129.41 8.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.7 t -136.44 138.57 41.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -118.69 145.96 45.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.586 ' CD2' HD13 ' A' ' 11' ' ' ILE . 12.4 mt -127.23 174.31 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 p -106.23 29.5 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 13.2 mtt180 -156.14 112.9 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.763 HG22 ' HG3' ' A' ' 63' ' ' ARG . 12.5 t -71.77 150.68 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 53.41 53.29 11.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.814 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 85' ' ' GLU . 17.0 t80 -117.87 136.39 23.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.79 158.2 57.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.47 179.96 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 43' ' ' TRP . 18.1 m -153.38 157.53 40.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.43 ' N ' HG22 ' A' ' 42' ' ' THR . 58.2 m95 -106.95 151.22 25.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 49' ' ' LYS . 87.2 m-85 -143.88 153.56 42.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' GLN . 11.8 tttt -134.26 131.42 38.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 t70 41.63 37.2 0.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.51 33.5 58.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' LYS . 38.1 mt-30 -135.22 121.65 20.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.926 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 13.8 tttp -59.36 137.28 58.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.608 ' HB ' HD13 ' A' ' 56' ' ' LEU . 11.3 m -95.18 159.7 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -120.75 112.27 18.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -52.2 123.19 10.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.2 p -162.74 -175.4 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.12 -24.58 59.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.79 ' O ' HD23 ' A' ' 69' ' ' LEU . 92.1 mt -90.3 -17.06 28.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.608 HD13 ' HB ' ' A' ' 50' ' ' VAL . 5.7 tt -136.43 105.05 5.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.03 140.12 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.7 t -130.21 118.54 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -106.97 169.74 8.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 29.7 ttp -149.82 106.64 3.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -114.81 76.24 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.433 ' HA2' HG13 ' A' ' 37' ' ' VAL . . . 41.03 94.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.763 ' HG3' HG22 ' A' ' 37' ' ' VAL . 61.0 mtm180 63.68 24.98 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -132.49 100.94 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -110.02 106.94 16.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -122.03 140.45 52.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.482 HD23 ' C ' ' A' ' 67' ' ' LEU . 5.2 tt -107.11 117.65 34.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.47 ' N ' HD23 ' A' ' 67' ' ' LEU . 11.4 mt -97.06 151.92 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.79 HD23 ' O ' ' A' ' 55' ' ' LEU . 15.3 mt -140.89 119.18 8.1 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.604 0.716 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -37.93 8.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -125.71 118.08 24.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.477 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -87.07 90.44 8.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.137 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -84.22 145.56 28.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.9 t -44.43 -35.75 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.54 -36.65 84.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -55.71 -25.33 39.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.3 p -63.89 104.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.82 178.92 47.71 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -80.47 129.25 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.389 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -108.61 134.55 51.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -123.74 147.15 47.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.9 t -125.29 98.26 5.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -83.2 121.68 27.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -112.68 -75.59 0.6 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.483 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 33.6 tp10 -123.16 -71.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.59 -8.37 4.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.5 m -120.69 174.21 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 111.105 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.9 149.34 14.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.99 167.1 10.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.093 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -134.97 142.12 46.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.469 ' HA ' HG22 ' A' ' 18' ' ' VAL . 11.7 m-85 -141.77 123.99 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.83 110.53 3.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 61.6 t -108.67 136.87 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 111.116 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.8 m -132.08 110.85 10.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.0 t -101.75 108.53 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -104.37 123.53 47.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -62.87 134.5 95.63 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.45 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.5 Cg_endo -69.79 -171.09 0.44 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 t -128.51 92.24 3.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.42 163.4 36.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 115.01 3.89 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.5 t -132.92 119.22 19.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.7 p -82.23 84.37 7.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.47 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.9 t -58.54 80.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 1' ' ' GLY . 5.1 m -129.36 168.53 16.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.3 51.13 0.32 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -92.14 154.72 18.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 110.878 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -61.17 106.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.41 86.49 1.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.516 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -46.87 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 85' ' ' GLU . 5.4 p -159.01 130.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 35' ' ' SER . 27.5 p-80 -132.26 144.36 50.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.408 HD13 ' HB2' ' A' ' 89' ' ' ALA . 32.9 mt -78.16 134.1 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -98.8 -34.74 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 58.0 p -151.62 138.03 11.62 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.9 Cg_endo -69.75 -168.54 4.46 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.32 -0.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -102.85 -22.39 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 17' ' ' LYS . 4.4 p30 -162.54 159.49 24.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 16' ' ' ASP . 8.5 tttt -34.15 128.88 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.443 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 29.1 m -107.87 169.34 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 t -140.0 128.67 23.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mt -136.28 167.93 20.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m -144.38 135.05 24.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -138.74 173.91 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 24' ' ' THR . 25.6 m -108.99 159.67 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.492 ' N ' HG22 ' A' ' 23' ' ' THR . 89.0 m -63.3 134.88 56.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 t 73.67 46.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -126.67 175.5 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -103.16 102.4 12.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.4 t -96.64 132.73 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.641 HG13 HG13 ' A' ' 68' ' ' ILE . 24.7 t -140.75 120.44 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.9 mt -92.86 -175.41 3.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.3 m -159.21 137.61 10.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.9 t -151.11 136.92 18.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -116.18 145.22 43.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -124.68 -176.01 3.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 60.2 p -106.02 -10.2 16.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' CZ ' ' HA ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -119.66 135.64 54.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.43 ' O ' ' CG ' ' A' ' 38' ' ' ASP . 17.5 t -86.71 152.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 2.9 p30 49.55 25.82 1.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.533 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.0 t80 -77.56 140.67 64.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.81 151.2 68.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -173.11 171.65 4.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.6 m -147.46 138.76 23.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.465 ' O ' HG22 ' A' ' 50' ' ' VAL . 81.5 m95 -90.06 129.98 36.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -124.28 147.37 48.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 48' ' ' GLN . 15.7 tttm -128.59 135.46 49.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 t70 39.76 25.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . 86.42 34.91 11.21 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.52 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 45' ' ' LYS . 11.6 pt20 -140.27 133.16 29.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.926 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -67.2 125.8 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 43' ' ' TRP . 26.2 m -73.37 170.66 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -132.6 103.16 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -49.26 113.35 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 t -152.45 -176.56 5.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.0 -32.74 66.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.5 mt -87.83 -1.31 57.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.877 HD21 HD21 ' A' ' 67' ' ' LEU . 3.4 tt -144.32 106.44 4.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 t -104.33 134.31 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.4 HG22 HD22 ' A' ' 67' ' ' LEU . 12.2 t -124.03 115.36 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -99.52 145.83 27.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.0 ttp -134.44 101.86 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -104.67 61.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.35 -94.95 1.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.99 5.05 23.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 0.0 110.905 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -107.71 123.82 49.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -121.94 125.46 46.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -132.45 145.07 50.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.877 HD21 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -109.16 112.39 24.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.641 HG13 HG13 ' A' ' 29' ' ' VAL . 37.3 mt -97.42 151.41 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.402 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 45.6 mt -140.02 118.78 8.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.575 0.703 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -37.53 9.02 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.701 2.268 . . . . 0.0 112.324 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -133.12 101.53 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.08 106.87 17.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -102.14 170.4 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -57.78 -24.54 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -74.9 -30.84 61.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.98 -21.12 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.5 p -59.25 114.96 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.13 -159.79 26.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' OE2' ' C ' ' A' ' 91' ' ' PHE . 20.5 tp10 -111.9 136.65 50.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -108.52 150.01 28.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -143.73 130.21 20.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.9 t -100.4 74.12 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -58.57 138.95 56.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.769 HG22 ' O ' ' A' ' 87' ' ' VAL . 6.4 t -153.15 168.87 24.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.523 ' O ' HG12 ' A' ' 9' ' ' VAL . 5.4 tt0 -66.19 73.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.79 -73.83 0.22 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.769 ' O ' HG22 ' A' ' 84' ' ' THR . 33.9 m -137.69 -179.63 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 111.115 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.95 158.96 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.408 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -112.26 168.16 9.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -137.61 122.51 18.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.443 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 51.5 m-85 -122.91 114.31 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.34 109.01 3.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.451 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 88.9 t -110.76 146.11 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.2 m -139.05 138.5 37.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.6 t -123.02 99.17 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -95.17 132.74 39.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -75.07 131.59 78.42 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.609 0.719 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.451 ' HD3' HG22 ' A' ' 23' ' ' THR . 53.6 Cg_endo -69.76 101.88 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.712 2.274 . . . . 0.0 112.359 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.2 m -101.26 128.26 47.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 124.16 162.83 11.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.8 Cg_endo -69.74 2.87 3.14 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 101' ' ' PRO . 96.8 p -36.61 -44.36 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.0 t -112.54 158.39 19.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -41.68 125.93 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 0.0 110.821 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -56.95 143.99 35.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.41 133.8 35.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -77.56 -54.44 6.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -124.8 -47.81 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.33 109.07 0.5 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.532 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -49.84 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.36 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 9' ' ' VAL . 11.3 p -104.84 125.08 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.467 ' CE1' ' OG ' ' A' ' 35' ' ' SER . 22.1 p80 -119.21 133.21 55.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.5 ' CD1' ' C ' ' A' ' 88' ' ' SER . 15.3 mt -72.15 133.9 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.572 HD12 ' HG2' ' A' ' 33' ' ' GLU . 3.2 mt -93.21 -36.86 12.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.562 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 17.5 t -154.06 141.23 13.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.7 Cg_endo -69.73 151.79 91.66 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.341 -0.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -69.41 -33.32 72.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -146.34 176.33 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -50.32 143.77 8.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 28.3 m -120.91 174.19 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.415 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 13.7 t -139.83 131.95 28.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' HG ' ' C ' ' A' ' 19' ' ' SER . 4.1 mt -146.72 144.17 29.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 m -125.18 152.09 44.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -155.22 175.87 13.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.483 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 23.5 m -113.49 140.71 47.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.7 m -44.69 140.03 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t 74.17 36.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 23' ' ' THR . 5.4 mm-40 -120.29 179.4 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -106.68 121.86 45.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.566 HG23 ' HB2' ' A' ' 72' ' ' ALA . 62.5 t -117.85 126.63 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.82 HG13 HG13 ' A' ' 68' ' ' ILE . 23.3 t -135.14 113.18 15.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.0 mt -85.23 -175.17 5.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.6 m -160.36 136.94 8.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.3 t -146.69 146.19 30.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.572 ' HG2' HD12 ' A' ' 12' ' ' LEU . 23.1 tt0 -121.87 156.26 33.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.8 mt -129.1 170.16 13.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.467 ' OG ' ' CE1' ' A' ' 10' ' ' HIS . 22.9 t -81.28 -33.96 32.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.586 ' HD2' ' CE2' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -120.27 148.64 43.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.498 HG22 ' HA3' ' A' ' 62' ' ' GLY . 0.5 OUTLIER -86.27 172.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.496 ' H ' HG22 ' A' ' 37' ' ' VAL . 4.3 p-10 47.13 48.43 15.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CE2' ' HD2' ' A' ' 36' ' ' ARG . 2.3 t80 -113.72 138.89 22.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.566 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.73 154.7 67.53 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.73 2.287 . . . . 0.0 112.316 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.25 149.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.4 m -131.99 144.31 50.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.441 ' CG ' HD12 ' A' ' 67' ' ' LEU . 82.6 m95 -90.49 139.16 30.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 92.2 m-85 -132.58 140.19 48.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -123.2 126.28 46.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t0 55.99 30.53 16.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.4 23.22 68.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -129.27 148.36 51.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 33.3 ttpt -70.81 130.59 42.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.3 m -82.02 157.21 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -108.99 125.8 52.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -77.38 114.57 16.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -153.63 -175.95 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -58.53 -35.82 72.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.432 ' O ' HD23 ' A' ' 69' ' ' LEU . 47.5 mt -80.89 -7.9 59.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.554 HD21 HD11 ' A' ' 67' ' ' LEU . 1.5 tt -140.91 105.72 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.6 t -102.06 142.05 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.7 t -130.81 104.53 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -99.41 137.48 37.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.5 ttt -135.94 109.32 7.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.27 59.7 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.498 ' HA3' HG22 ' A' ' 37' ' ' VAL . . . 86.86 -91.14 1.71 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 ptt-85 -109.5 3.15 20.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -109.31 104.72 13.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -106.34 129.08 54.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -142.46 139.6 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.554 HD11 HD21 ' A' ' 56' ' ' LEU . 3.3 tt -107.73 119.51 39.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.82 HG13 HG13 ' A' ' 29' ' ' VAL . 14.5 mt -100.61 150.85 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 55' ' ' LEU . 36.9 mt -138.55 119.09 9.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.578 0.704 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -37.41 9.1 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.688 2.259 . . . . 0.0 112.344 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -134.92 92.45 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -70.23 101.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -93.17 163.98 13.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.7 t -55.72 -32.29 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -68.84 -35.96 77.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -63.21 -22.57 66.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.2 p -63.12 128.34 35.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.54 -175.36 38.12 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -84.65 128.45 34.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -109.41 126.94 53.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -121.58 130.52 53.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 27.2 t -107.56 83.61 1.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 84' ' ' THR . 15.2 ttt180 -85.18 146.54 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -130.45 -77.28 0.53 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.514 ' H ' HG23 ' A' ' 84' ' ' THR . 10.4 mm-40 -115.75 -67.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.45 -4.17 5.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.2 m -130.5 165.07 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.123 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.5 ' C ' ' CD1' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -159.5 166.05 31.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.485 ' O ' ' CD1' ' A' ' 90' ' ' PHE . . . -106.97 -179.98 4.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 89' ' ' ALA . 33.0 m-85 -149.62 134.2 17.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.457 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 36.3 m-85 -142.17 122.09 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.94 113.45 4.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 61.9 t -113.42 133.8 58.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.937 0.398 . . . . 0.0 111.093 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.5 m -126.07 108.76 11.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.2 t -99.52 98.85 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -93.12 124.36 37.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -63.11 137.56 97.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.702 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 151.29 68.99 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.1 p -62.49 120.8 11.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.62 154.35 23.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.8 Cg_endo -69.78 2.7 3.31 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.256 . . . . 0.0 112.327 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 101' ' ' PRO . 2.7 t -36.37 122.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.4 p -157.56 -178.69 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -84.71 89.37 7.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.93 0.395 . . . . 0.0 110.888 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 m -113.26 -51.76 2.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.71 84.23 0.34 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 m -67.37 128.81 37.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.866 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -134.93 102.84 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.03 86.3 1.34 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.6 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.685 2.257 . . . . 0.0 112.358 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.431 HG11 ' CE2' ' A' ' 39' ' ' PHE . 14.8 p -131.97 143.82 39.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -135.05 132.19 37.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.6 mt -67.08 149.36 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.652 HD12 ' HG2' ' A' ' 33' ' ' GLU . 2.9 mt -114.14 -35.24 5.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.515 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 3.2 m -152.66 132.37 7.13 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.819 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.69 -178.55 16.87 Favored 'Cis proline' 0 C--O 1.231 0.144 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.372 -0.136 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -96.9 -37.03 10.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.25 174.8 10.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -43.33 133.25 4.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.578 HG22 ' HA ' ' A' ' 91' ' ' PHE . 14.5 m -111.87 174.96 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -140.39 127.94 21.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.2 mt -141.24 151.56 43.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -137.92 138.77 39.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CG ' HG22 ' A' ' 28' ' ' VAL . 47.0 m-85 -141.15 170.8 15.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.448 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 59.4 m -106.1 152.95 22.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.8 m -52.14 150.07 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.2 p 56.11 51.69 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -130.47 177.56 7.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.4 ttt-85 -107.65 107.17 17.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.404 HG22 ' CG ' ' A' ' 22' ' ' PHE . 84.4 t -102.05 131.06 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.815 HG22 HG12 ' A' ' 68' ' ' ILE . 51.0 t -136.24 117.67 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.3 mt -86.96 -175.25 5.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.6 m -158.46 134.57 9.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.4 t -149.96 143.08 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.652 ' HG2' HD12 ' A' ' 12' ' ' LEU . 12.0 tt0 -119.45 158.79 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.6 mt -138.32 171.46 14.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.403 ' HB2' HD21 ' A' ' 12' ' ' LEU . 15.1 t -109.56 23.86 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -148.73 111.08 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.443 ' CG2' ' HG3' ' A' ' 63' ' ' ARG . 54.9 t -70.06 146.54 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t70 60.91 39.84 16.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.431 ' CE2' HG11 ' A' ' 9' ' ' VAL . 2.0 t80 -106.92 124.24 36.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.671 0.748 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 168.51 21.38 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.222 . . . . 0.0 112.352 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -171.63 -178.48 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.2 m -146.52 140.74 26.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.566 ' O ' HG22 ' A' ' 50' ' ' VAL . 81.0 m95 -98.08 123.82 42.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.506 ' CE2' ' HB2' ' A' ' 49' ' ' LYS . 71.3 m-85 -115.25 143.76 44.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -131.0 129.24 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 47.64 40.65 12.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.38 35.51 87.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -149.58 116.57 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 29.3 ttpt -51.94 131.52 31.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 43' ' ' TRP . 18.0 m -78.89 169.04 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -131.88 101.04 5.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -40.13 134.27 1.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -162.3 -176.21 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -56.21 -37.43 69.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.549 ' O ' HD23 ' A' ' 69' ' ' LEU . 19.6 mt -90.07 -7.05 54.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -129.52 101.74 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 t -103.15 134.77 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.1 t -128.06 113.72 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -102.04 154.0 19.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.482 ' HG2' ' N ' ' A' ' 61' ' ' ASP . 2.7 ttt -131.85 148.97 52.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.482 ' N ' ' HG2' ' A' ' 60' ' ' MET . 1.3 m-20 -159.73 154.2 23.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -40.23 106.84 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.443 ' HG3' ' CG2' ' A' ' 37' ' ' VAL . 96.8 mtt180 53.92 42.19 31.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -155.58 121.28 5.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -133.57 120.11 20.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 ptt-85 -134.54 153.0 52.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 68' ' ' ILE . 2.7 tt -115.83 139.32 50.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.815 HG12 HG22 ' A' ' 29' ' ' VAL . 20.1 mt -120.65 153.1 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 55' ' ' LEU . 66.5 mt -140.44 118.18 8.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.571 0.701 . . . . 0.0 110.945 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -38.99 7.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -128.51 92.69 3.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.438 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -79.4 90.49 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -83.82 171.94 12.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.6 t -53.32 -38.75 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -63.87 -42.45 97.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.5 -30.22 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.2 p -57.94 135.87 56.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.3 172.84 23.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -78.31 128.28 33.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -107.4 126.94 53.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -119.09 148.59 42.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.5 t -123.09 80.54 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -76.88 108.13 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.88 -75.63 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.401 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 2.7 tp10 -128.43 -49.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.23 -29.17 0.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.5 m -113.4 175.75 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.33 163.48 30.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.21 130.59 56.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -99.42 125.14 45.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.578 ' HA ' HG22 ' A' ' 18' ' ' VAL . 50.4 m-85 -124.57 112.66 17.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.97 109.19 3.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.8 t -109.48 149.5 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 111.154 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.9 m -145.55 116.39 7.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.438 HG11 ' O ' ' A' ' 72' ' ' ALA . 43.7 t -101.59 108.24 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -101.32 133.96 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -75.38 131.42 77.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.448 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.3 Cg_endo -69.75 148.55 65.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.9 m -51.66 139.82 20.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.33 169.37 28.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 136.15 32.22 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.332 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.8 p -144.31 127.71 16.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.0 p 44.58 42.35 5.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 m -136.91 117.89 14.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.2 t -49.81 162.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.04 -149.99 6.03 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.427 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -75.21 94.84 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -160.94 162.74 32.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.84 153.27 2.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.499 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 53.8 Cg_endo -69.7 -49.42 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.71 2.273 . . . . 0.0 112.364 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 85' ' ' GLU . 4.3 p -146.29 131.6 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.431 ' CE1' ' HG ' ' A' ' 35' ' ' SER . 10.5 p80 -130.63 131.66 45.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.577 ' CD1' HG23 ' A' ' 87' ' ' VAL . 51.4 mt -73.62 129.26 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.459 HD12 ' HG2' ' A' ' 33' ' ' GLU . 5.5 mt -89.26 -27.5 20.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.519 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 19.1 t -162.49 132.19 3.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.678 0.751 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.78 -168.99 4.77 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.364 -0.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -114.97 -34.07 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -134.34 -70.95 0.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -159.87 142.2 13.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 91' ' ' PHE . 29.6 m -116.57 176.11 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.5 t -142.24 135.28 28.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 mt -144.34 155.04 43.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.3 m -136.73 138.91 41.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CG ' HG22 ' A' ' 28' ' ' VAL . 62.4 m-85 -145.84 164.15 32.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.9 m -102.83 150.59 23.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.151 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.5 m -54.87 141.55 32.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.196 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 m 69.63 48.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -140.17 175.02 9.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -97.5 123.71 41.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.618 HG22 ' CG ' ' A' ' 22' ' ' PHE . 67.1 t -125.19 118.27 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.417 ' CG2' ' HE ' ' A' ' 66' ' ' ARG . 1.4 p -130.41 125.47 59.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.566 HD21 ' CG2' ' A' ' 93' ' ' VAL . 65.8 mt -86.39 -170.72 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.404 ' OG1' ' NH2' ' A' ' 66' ' ' ARG . 1.2 m -156.48 130.55 8.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -143.51 133.65 24.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.459 ' HG2' HD12 ' A' ' 12' ' ' LEU . 23.0 tt0 -110.74 154.6 23.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.9 mt -135.28 171.17 14.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.431 ' HG ' ' CE1' ' A' ' 10' ' ' HIS . 23.2 t -100.57 -3.26 30.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 8' ' ' PRO . 18.3 mtt180 -121.36 134.46 55.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.424 HG23 ' NE ' ' A' ' 63' ' ' ARG . 19.3 t -89.68 145.99 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t70 53.12 51.45 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.527 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.5 t80 -111.31 140.42 22.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.667 0.746 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.67 159.2 54.38 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.73 2.286 . . . . 0.0 112.367 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -171.26 160.22 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.035 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.42 HG22 ' CE1' ' A' ' 44' ' ' TYR . 82.1 m -137.04 124.21 21.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -78.17 151.31 33.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.518 ' CE2' ' HB2' ' A' ' 49' ' ' LYS . 73.9 m-85 -142.13 157.77 44.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 48' ' ' GLN . 17.7 tttm -133.4 133.61 42.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 41.31 25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . 88.88 31.88 11.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 45' ' ' LYS . 6.5 pt20 -144.4 122.17 11.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.931 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.518 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -47.57 147.82 1.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.4 m -101.29 145.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -102.54 104.54 14.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' HA ' HD22 ' A' ' 56' ' ' LEU . 1.6 mp0 -52.31 125.34 15.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 t -155.33 -176.46 5.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.82 -29.84 60.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.533 ' O ' HD23 ' A' ' 69' ' ' LEU . 48.4 mt -90.9 -7.76 51.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 52' ' ' GLU . 5.8 tt -134.47 103.93 5.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 t -105.38 128.24 59.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.9 t -118.1 117.69 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -99.63 142.4 31.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.6 ttt -130.46 106.06 8.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.85 103.41 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 41.7 -120.04 1.94 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.424 ' NE ' HG23 ' A' ' 37' ' ' VAL . 75.3 mtt180 -87.98 40.73 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 110.853 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -143.33 124.06 14.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -138.84 117.11 11.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.455 ' NE ' ' O ' ' A' ' 30' ' ' LEU . 5.2 ptm180 -133.04 170.7 14.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.444 HD21 ' HG ' ' A' ' 56' ' ' LEU . 5.6 tt -126.2 116.38 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.6 mt -96.43 148.46 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.058 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 55' ' ' LEU . 53.9 mt -136.51 119.24 11.9 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.64 0.733 . . . . 0.0 110.95 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -36.48 10.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.739 2.293 . . . . 0.0 112.336 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -132.28 111.59 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.79 97.32 9.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -90.83 154.29 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.4 t -55.28 -17.7 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -83.39 -22.91 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.66 -14.15 59.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.407 ' CB ' ' H ' ' A' ' 95' ' ' VAL . 43.7 p -68.12 102.21 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.63 -157.51 12.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -111.6 129.45 56.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.886 0.375 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -106.34 148.93 27.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -141.08 132.71 27.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.1 t -102.54 79.39 1.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -61.54 142.35 57.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.795 HG22 ' O ' ' A' ' 87' ' ' VAL . 13.5 t -156.36 165.12 37.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.481 ' O ' HG12 ' A' ' 9' ' ' VAL . 4.6 tp10 -62.64 76.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 84' ' ' THR . . . 153.71 -72.69 0.26 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.795 ' O ' HG22 ' A' ' 84' ' ' THR . 20.1 m -138.14 -179.06 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.39 149.73 38.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.511 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -102.39 165.97 10.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -133.75 134.03 42.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.494 ' HA ' HG22 ' A' ' 18' ' ' VAL . 83.5 m-85 -133.37 137.56 45.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -109.39 111.8 3.27 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.566 ' CG2' HD21 ' A' ' 30' ' ' LEU . 62.9 t -116.36 130.74 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 111.17 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 54.8 m -127.01 119.67 27.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.407 ' H ' ' CB ' ' A' ' 77' ' ' SER . 13.9 t -103.7 104.2 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -98.66 114.26 26.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -58.3 137.64 84.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.67 3.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.7 p -146.99 134.57 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.43 169.89 35.98 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 125.36 12.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.296 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.6 p -174.6 128.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.7 p -112.47 85.38 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.479 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 p -104.16 91.41 3.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.837 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 p -139.13 175.72 9.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.81 74.43 0.39 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.551 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -67.48 158.25 32.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.868 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -69.23 147.78 50.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.34 121.67 0.34 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.14 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.396 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.44 ' CG1' ' HB3' ' A' ' 85' ' ' GLU . 7.7 p -160.38 126.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -119.89 160.26 23.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.8 mt -85.16 143.21 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.115 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.485 HD12 ' OE1' ' A' ' 33' ' ' GLU . 7.8 mt -110.13 -33.16 6.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.529 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 60.2 p -147.43 131.94 8.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.658 0.742 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.4 Cg_endo -69.8 -171.47 6.69 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.36 -0.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -103.9 -34.91 8.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' LYS . 33.5 m-20 -146.27 161.98 39.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' ASP . 28.9 tttt -34.58 129.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 91' ' ' PHE . 16.5 m -107.83 170.98 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.0 p -145.79 113.43 6.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mt -125.7 149.81 48.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.0 m -130.14 144.69 51.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CG ' HG22 ' A' ' 28' ' ' VAL . 95.5 m-85 -146.77 169.23 19.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.442 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 41.9 m -105.02 153.54 21.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 23' ' ' THR . 92.8 m -54.68 147.84 13.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 p 61.01 47.99 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.811 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -132.46 169.19 16.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -98.28 116.92 31.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.404 HG22 ' CG ' ' A' ' 22' ' ' PHE . 92.9 t -114.24 128.6 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.827 HG13 HG13 ' A' ' 68' ' ' ILE . 24.2 t -135.19 119.26 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.7 mt -85.41 -175.07 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.9 m -156.87 137.22 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 49.6 t -152.63 146.34 25.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.485 ' OE1' HD12 ' A' ' 12' ' ' LEU . 39.0 tt0 -122.21 156.61 33.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.458 HD21 HG21 ' A' ' 84' ' ' THR . 64.5 mt -133.92 173.73 11.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.478 ' OG ' HD21 ' A' ' 12' ' ' LEU . 1.8 m -105.96 24.84 11.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.462 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 25.9 mtp85 -152.61 132.61 13.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.9 t -82.59 150.35 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 46.59 46.32 14.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.517 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 18.8 t80 -100.2 139.22 20.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.81 146.14 58.98 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.334 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.96 164.31 20.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.8 m -147.74 143.92 27.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.439 ' HB2' HG21 ' A' ' 50' ' ' VAL . 60.5 m95 -92.97 153.91 18.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.56 ' CD2' ' HA ' ' A' ' 49' ' ' LYS . 87.4 m-85 -144.94 134.88 23.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.96 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -116.14 127.7 55.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.4 t0 52.03 41.05 29.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.61 39.59 98.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' LYS . 31.5 mt-30 -149.02 119.67 7.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 22.7 tttp -37.28 143.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 43' ' ' TRP . 33.2 m -87.84 146.96 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -96.22 100.86 12.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -58.76 114.59 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.8 p -161.16 176.61 11.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.52 -39.2 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.484 ' O ' HD23 ' A' ' 69' ' ' LEU . 87.6 mt -69.35 -22.9 63.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.47 ' HG ' HD21 ' A' ' 67' ' ' LEU . 8.5 tt -129.07 106.27 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.7 t -102.01 125.8 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.4 t -112.74 120.08 61.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' NZ ' ' HA ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -100.48 150.14 22.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.7 ttp -139.47 109.25 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.86 100.83 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 43.79 -113.3 0.72 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.463 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -97.5 45.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -150.94 118.64 6.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -125.48 109.61 12.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -120.93 152.38 38.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.47 HD21 ' HG ' ' A' ' 56' ' ' LEU . 4.8 tt -114.8 123.3 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.827 HG13 HG13 ' A' ' 29' ' ' VAL . 12.5 mt -102.8 153.17 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 55' ' ' LEU . 37.8 mt -139.49 118.97 9.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.631 0.729 . . . . 0.0 110.97 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -37.36 9.35 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.355 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -128.33 112.24 14.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.402 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -82.7 79.09 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.5 ptmm? -82.06 147.55 29.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.3 t -44.73 -27.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -74.17 -37.44 63.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 73' ' ' LYS . 33.7 m-20 -52.45 -31.98 37.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.9 p -57.59 141.69 47.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.74 173.35 20.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -77.3 125.56 29.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -107.4 125.5 51.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -113.31 131.25 56.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.8 t -109.71 85.81 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -77.57 128.49 34.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.458 HG21 HD21 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -115.91 -74.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.487 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 3.9 tp10 -120.43 -60.1 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -131.51 -25.89 0.76 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.7 m -113.43 177.79 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.136 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.48 159.08 27.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -106.18 137.41 44.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -107.56 120.56 42.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.521 ' HA ' HG22 ' A' ' 18' ' ' VAL . 72.1 m-85 -115.06 113.7 24.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.38 101.17 2.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 98.4 t -100.51 147.04 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 93.3 m -140.5 114.07 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.402 HG11 ' O ' ' A' ' 72' ' ' ALA . 39.4 t -102.12 116.72 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -110.04 137.56 47.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -77.81 134.97 64.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.709 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.442 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.3 Cg_endo -69.85 140.16 41.66 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.238 . . . . 0.0 112.325 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 93.5 p -87.83 44.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -91.01 145.88 18.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -12.23 32.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.345 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.2 m -70.03 169.33 13.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.8 m -125.21 155.81 39.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.845 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -90.89 -47.5 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 p -71.15 91.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.82 73.52 0.73 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 m -76.11 177.02 7.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -125.92 88.7 2.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.89 124.46 1.81 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.536 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.417 HG11 ' CE2' ' A' ' 39' ' ' PHE . 8.4 p -145.77 146.31 19.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -147.9 128.04 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.513 ' CD1' ' C ' ' A' ' 88' ' ' SER . 20.3 mt -63.52 142.87 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.566 HD21 ' OG ' ' A' ' 35' ' ' SER . 7.0 mt -107.63 -34.54 6.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 46.4 t -153.53 134.74 8.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.895 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.2 Cg_endo -69.76 167.71 70.08 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.34 -0.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -85.64 -34.8 21.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.17 174.34 12.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.5 tptt -45.57 130.96 8.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 16.2 m -109.55 178.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.9 p -143.32 119.14 10.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mt -137.08 149.86 47.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -134.89 146.83 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -142.86 175.62 9.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 55.8 m -111.28 142.47 43.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.4 m -46.24 147.22 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.9 m 61.95 50.18 4.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 23' ' ' THR . 28.7 mm-40 -136.92 167.49 21.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -94.1 120.24 34.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.479 HG23 ' HB2' ' A' ' 72' ' ' ALA . 98.3 t -114.77 117.31 55.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -129.57 107.64 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.7 mt -79.53 -175.92 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.1 m -151.88 139.05 19.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.0 t -146.07 146.08 30.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -124.56 153.12 42.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.6 mt -135.8 -178.64 5.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.566 ' OG ' HD21 ' A' ' 12' ' ' LEU . 1.7 m -109.25 -4.01 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -117.3 134.56 54.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.5 t -83.58 141.92 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t0 53.66 28.44 8.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.437 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 3.1 t80 -77.97 134.57 63.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.79 142.7 48.5 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.06 173.38 17.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.7 m -154.49 137.69 15.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -84.51 156.93 21.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.558 ' HA ' HG13 ' A' ' 50' ' ' VAL . 93.2 m-85 -150.99 154.88 37.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' GLN . 19.2 tttt -130.48 144.32 51.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 40.18 24.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . 83.99 35.63 15.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 45' ' ' LYS . 7.5 pt20 -142.11 161.57 37.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.908 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.496 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 30.5 tttt -75.15 127.94 34.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.558 HG13 ' HA ' ' A' ' 44' ' ' TYR . 17.6 m -79.04 137.75 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -77.81 126.8 31.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -88.39 112.82 23.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 t -158.74 -174.96 5.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -55.02 -37.93 67.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.718 ' O ' HD23 ' A' ' 69' ' ' LEU . 87.3 mt -74.15 -18.59 60.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 tt -132.19 103.8 6.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.4 t -102.06 129.67 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.9 t -119.71 111.24 32.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -99.67 145.63 27.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 ttt -136.7 113.23 10.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -127.92 120.82 28.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 39.61 -114.01 0.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.463 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.67 43.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.384 . . . . 0.0 110.857 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -146.79 116.79 7.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -116.08 138.94 50.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 ptt-85 -148.18 141.82 25.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.569 HD23 ' N ' ' A' ' 68' ' ' ILE . 3.9 tt -106.03 122.07 45.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.569 ' N ' HD23 ' A' ' 67' ' ' LEU . 18.2 mt -100.42 148.67 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 55' ' ' LEU . 10.6 mt -137.05 119.53 11.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.902 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -36.18 11.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -140.92 105.73 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.479 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -78.01 97.07 5.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -85.58 160.95 19.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.7 t -55.28 -27.45 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -71.6 -38.49 70.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.12 -10.23 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -69.13 102.07 1.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.09 -171.06 39.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -92.68 137.04 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -114.32 139.42 49.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 89' ' ' ALA . 5.1 tt0 -129.53 144.13 51.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.4 t -117.89 82.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 84' ' ' THR . 19.1 ttt180 -83.96 146.55 27.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.59 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -131.83 -75.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.59 ' H ' HG23 ' A' ' 84' ' ' THR . 7.3 mt-10 -116.9 -66.48 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.59 -11.93 2.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.4 m -121.43 161.23 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.513 ' C ' ' CD1' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -153.09 167.89 27.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.843 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 81' ' ' GLU . . . -107.16 179.41 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.144 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -150.51 133.98 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.466 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 68.0 m-85 -140.93 130.7 24.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.01 90.95 1.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.4 t -93.87 133.47 34.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 111.148 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.1 m -136.99 124.21 21.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.3 t -105.58 129.3 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -124.83 113.96 18.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -60.63 133.82 91.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.623 0.725 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.426 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.1 Cg_endo -69.76 -173.52 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.1 m -126.27 82.7 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -64.52 -173.08 3.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -36.41 10.89 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.4 m -133.03 144.1 49.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.3 p -73.06 138.55 45.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.17 0 CA-C-O 120.812 0.255 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 p -154.87 128.28 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.446 ' HD2' HD23 ' A' ' 12' ' ' LEU . 6.1 p-80 -126.88 139.45 53.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.696 ' CD1' HG23 ' A' ' 87' ' ' VAL . 56.6 mt -69.98 144.22 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.512 HD12 ' HG2' ' A' ' 33' ' ' GLU . 6.5 mt -106.65 -34.17 7.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.543 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 1.8 m -156.2 140.62 11.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.69 0.757 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.4 Cg_endo -69.8 176.04 34.29 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.352 -0.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -92.88 -33.84 14.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.89 178.58 7.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.427 ' HE3' ' CD ' ' A' ' 79' ' ' GLU . 14.7 tptm -53.73 131.51 39.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 91' ' ' PHE . 17.9 m -111.99 168.89 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 t -139.41 130.81 26.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mt -137.59 150.58 47.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.9 m -137.99 131.71 31.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.631 ' CG ' HG22 ' A' ' 28' ' ' VAL . 77.4 m-85 -132.12 171.41 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.456 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 55.7 m -110.73 142.79 42.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 84.4 m -47.29 147.69 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 p 65.45 40.22 4.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 23' ' ' THR . 44.6 mm-40 -133.52 174.13 10.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -99.44 127.91 45.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.631 HG22 ' CG ' ' A' ' 22' ' ' PHE . 93.3 t -122.29 114.2 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.45 117.44 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.2 mt -85.42 -174.91 5.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.2 m -153.32 140.28 19.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.5 t -157.48 138.83 13.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.512 ' HG2' HD12 ' A' ' 12' ' ' LEU . 32.5 tt0 -116.56 154.97 29.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.9 mt -132.12 176.42 8.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.2 p -109.54 16.75 22.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.474 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 27.0 mtp85 -143.54 126.12 15.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.489 HG13 ' HA2' ' A' ' 62' ' ' GLY . 88.3 t -82.12 144.31 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 57.66 45.44 19.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.531 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.4 t80 -106.27 140.55 21.39 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.79 162.17 43.1 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.74 155.76 2.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.8 m -131.72 125.06 31.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CG ' HD23 ' A' ' 67' ' ' LEU . 83.2 m95 -79.19 140.76 37.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -131.82 134.79 46.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -117.02 128.41 55.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 t70 49.86 31.97 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.38 28.82 59.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -145.39 129.59 17.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.917 0.389 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.424 ' C ' ' HD2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -42.59 149.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.6 m -92.36 138.92 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -88.69 89.73 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HA ' HD23 ' A' ' 56' ' ' LEU . 4.8 mt-10 -54.12 130.05 36.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -171.26 -175.06 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -56.13 -29.54 60.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.434 ' O ' HD23 ' A' ' 69' ' ' LEU . 96.0 mt -85.76 -7.03 59.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.914 HD12 HD21 ' A' ' 69' ' ' LEU . 5.0 tp -134.56 108.98 8.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.654 HG12 ' HD3' ' A' ' 59' ' ' LYS . 6.3 t -104.18 125.64 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.575 HG22 ' CD2' ' A' ' 67' ' ' LEU . 63.7 t -113.84 108.66 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.654 ' HD3' HG12 ' A' ' 57' ' ' VAL . 4.9 mmmm -99.09 135.2 40.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.8 ttt -122.06 142.3 50.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -150.43 154.88 38.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.489 ' HA2' HG13 ' A' ' 37' ' ' VAL . . . -40.8 105.27 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.425 ' HG3' ' CG2' ' A' ' 37' ' ' VAL . 97.4 mtt180 56.02 41.81 29.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -158.6 117.45 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -130.02 134.91 47.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -145.17 151.64 38.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.575 ' CD2' HG22 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -110.9 119.4 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.584 HD12 ' CG ' ' A' ' 59' ' ' LYS . 9.3 mt -103.71 149.49 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.914 HD21 HD12 ' A' ' 56' ' ' LEU . 36.0 mt -140.73 119.33 8.27 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.599 0.714 . . . . 0.0 110.933 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -36.56 10.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.728 2.285 . . . . 0.0 112.344 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -133.92 97.05 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.521 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -74.01 91.92 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -83.26 155.72 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.4 t -47.29 -24.54 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -77.36 -37.31 52.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -58.16 -16.39 13.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.2 p -67.04 126.32 28.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 165.05 -168.34 39.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.473 ' OE2' ' N ' ' A' ' 91' ' ' PHE . 45.7 tp10 -99.51 130.63 45.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.371 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -106.31 150.77 25.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.484 ' CG ' ' HB3' ' A' ' 88' ' ' SER . 8.1 tt0 -150.56 129.85 12.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 40.6 t -93.66 73.36 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -50.12 138.99 15.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.812 HG22 ' O ' ' A' ' 87' ' ' VAL . 12.8 t -154.9 171.06 20.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.31 70.66 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 164.82 -67.12 0.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.812 ' O ' HG22 ' A' ' 84' ' ' THR . 34.2 m -144.43 177.64 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.484 ' HB3' ' CG ' ' A' ' 81' ' ' GLU . 0.7 OUTLIER -137.2 152.94 50.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.8 163.66 12.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.079 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -130.31 120.23 24.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.476 ' HA ' HG22 ' A' ' 18' ' ' VAL . 86.8 m-85 -125.61 113.83 17.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.13 123.94 6.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -125.68 140.51 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 111.11 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.2 m -141.22 114.24 8.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.521 HG11 ' O ' ' A' ' 72' ' ' ALA . 22.0 t -97.3 100.67 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -97.66 123.67 41.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -72.59 137.34 80.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.456 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.318 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.123 0 CA-C-O 120.827 0.261 . . . . 0.0 112.387 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.47 HG11 ' CE2' ' A' ' 39' ' ' PHE . 6.9 p -160.77 120.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -112.52 135.03 53.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.524 HD12 HG23 ' A' ' 87' ' ' VAL . 33.2 mt -72.18 138.93 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.741 HD12 ' HG2' ' A' ' 33' ' ' GLU . 2.1 mt -99.4 -33.2 10.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.549 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 43.4 t -157.03 142.77 12.74 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.733 . . . . 0.0 110.9 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.82 168.25 68.33 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.317 0.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -85.21 -25.36 27.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -155.8 -177.06 6.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -55.68 131.89 47.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.454 HG22 ' HA ' ' A' ' 91' ' ' PHE . 29.5 m -110.49 167.93 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.7 p -135.69 126.13 26.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mt -134.38 158.9 42.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.1 m -141.5 145.63 35.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -151.31 173.38 14.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.491 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 85.6 m -111.79 144.61 40.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.143 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -45.13 142.62 1.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.0 m 63.22 48.69 3.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 23' ' ' THR . 33.0 mm-40 -127.59 177.46 6.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 ttt85 -106.44 118.11 35.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.4 t -115.33 136.24 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.703 HG22 HG12 ' A' ' 68' ' ' ILE . 34.5 t -141.06 111.99 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.0 mt -85.67 -175.63 5.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.6 m -156.63 143.55 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.2 t -156.08 139.99 16.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.741 ' HG2' HD12 ' A' ' 12' ' ' LEU . 20.4 tt0 -116.22 151.02 36.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.1 mt -128.53 172.76 10.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.7 t -95.87 -10.14 29.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -121.69 138.01 54.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.61 HG22 ' HG2' ' A' ' 63' ' ' ARG . 61.3 t -84.3 141.15 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 54.75 46.34 24.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 3.2 t80 -96.73 140.57 22.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.707 0.765 . . . . 0.0 110.827 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.559 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.8 147.76 63.33 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.642 2.228 . . . . 0.0 112.328 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.52 -177.6 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.0 m -155.99 142.67 18.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -96.64 135.54 38.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.485 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 87.9 m-85 -128.7 145.67 51.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -128.81 128.22 43.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 t0 53.52 26.47 5.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.47 28.3 55.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.462 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -139.34 126.6 21.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.485 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 40.7 tttm -47.37 128.29 11.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.4 m -74.79 146.17 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.173 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -100.7 108.97 20.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HA ' HD23 ' A' ' 56' ' ' LEU . 10.6 mt-10 -67.66 129.03 38.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.0 p -160.96 -175.6 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -58.42 -18.01 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.9 mt -97.05 -9.03 28.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.859 HD12 HD21 ' A' ' 69' ' ' LEU . 5.2 tp -129.92 109.82 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 t -106.2 126.14 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.0 t -118.99 121.6 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -105.72 134.54 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.5 ttt -126.35 107.17 10.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.07 111.01 12.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.46 ' CA ' HG13 ' A' ' 37' ' ' VAL . . . 47.82 -131.18 17.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.61 ' HG2' HG22 ' A' ' 37' ' ' VAL . 6.2 ptt-85 -91.13 41.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.923 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -139.58 114.63 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -117.92 122.82 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -137.68 148.44 45.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.716 HD23 ' N ' ' A' ' 68' ' ' ILE . 3.3 tt -113.6 135.17 54.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.716 ' N ' HD23 ' A' ' 67' ' ' LEU . 15.7 mt -117.27 153.88 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.859 HD21 HD12 ' A' ' 56' ' ' LEU . 72.9 mt -140.73 118.57 8.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.531 0.681 . . . . 0.0 110.955 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -38.98 6.92 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -134.44 88.15 2.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.19 106.37 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -92.09 -176.35 4.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.6 t -75.55 -32.41 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -72.96 -20.13 61.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.36 -13.01 59.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.4 p -69.36 119.93 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.59 -179.34 43.39 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.32 132.29 34.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -106.39 147.68 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -140.72 132.29 27.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 47.6 t -105.21 78.25 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -59.24 144.01 47.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.874 HG22 ' O ' ' A' ' 87' ' ' VAL . 13.7 t -153.09 175.72 12.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -74.67 61.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.58 -68.33 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.874 ' O ' HG22 ' A' ' 84' ' ' THR . 18.3 m -139.94 -178.52 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.88 160.18 40.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.16 175.62 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.083 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -147.77 120.25 8.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.454 ' HA ' HG22 ' A' ' 18' ' ' VAL . 75.6 m-85 -127.76 124.99 39.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.33 126.14 8.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.5 t -127.42 133.99 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 111.173 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.489 HG22 ' HG3' ' A' ' 96' ' ' GLN . 54.3 m -132.83 104.9 6.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.8 t -90.97 97.01 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.489 ' HG3' HG22 ' A' ' 94' ' ' THR . 13.5 mt-30 -91.53 123.61 35.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -65.27 141.18 98.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.568 0.699 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.444 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.15 0 C-N-CA 122.688 2.259 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.835 0.265 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 9' ' ' VAL . 14.8 p -172.16 124.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -130.07 128.29 41.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.2 mt -48.07 147.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.491 HD12 ' HG2' ' A' ' 33' ' ' GLU . 5.0 mt -114.65 -34.83 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.501 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 66.1 m -153.07 127.65 4.65 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.654 0.74 . . . . 0.0 110.844 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.7 Cg_endo -69.75 -175.72 11.39 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.338 -0.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -97.42 -37.26 10.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -142.68 172.79 12.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.4 131.92 13.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.445 HG22 ' HA ' ' A' ' 91' ' ' PHE . 31.7 m -112.39 168.94 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -136.56 131.94 34.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mt -142.87 169.05 18.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m -143.15 144.34 32.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CD2' HG22 ' A' ' 28' ' ' VAL . 39.8 m-85 -139.25 173.18 11.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.482 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 59.5 m -112.98 143.9 43.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.0 m -46.88 146.13 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.4 p 62.07 48.16 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 23' ' ' THR . 7.9 mm-40 -133.21 176.28 8.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -102.55 116.7 33.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.484 HG22 ' CD2' ' A' ' 22' ' ' PHE . 82.7 t -110.69 115.14 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 p -130.87 120.44 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.18 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.6 mt -92.65 -174.99 3.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.5 m -155.21 135.67 13.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.7 t -142.62 144.68 32.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.491 ' HG2' HD12 ' A' ' 12' ' ' LEU . 38.8 tt0 -119.8 150.26 40.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.659 HD21 HG21 ' A' ' 84' ' ' THR . 40.3 mt -131.25 171.95 12.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.1 t -110.13 31.18 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -160.44 115.33 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.654 HG22 ' HG2' ' A' ' 63' ' ' ARG . 94.3 t -72.3 143.57 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.43 42.42 8.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.531 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 9.7 t80 -103.75 139.88 20.53 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.64 0.733 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.79 151.78 68.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 2.24 . . . . 0.0 112.327 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.71 170.3 17.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.4 m -151.3 142.33 23.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -95.38 134.23 38.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -129.04 130.56 46.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -117.91 127.42 53.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.5 t0 51.02 38.25 20.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.72 36.63 91.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -148.69 122.9 9.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -45.48 144.8 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 m -95.2 149.72 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 mp0 -100.27 135.48 41.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -85.79 118.36 25.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.2 p -160.08 175.26 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -51.21 -33.32 27.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.8 mt -77.83 -21.1 51.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.41 HD21 HD11 ' A' ' 67' ' ' LEU . 2.7 tt -127.05 107.54 10.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.7 t -102.0 131.97 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.1 t -126.13 119.92 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -100.85 156.13 17.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.7 ttp -143.49 115.07 8.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -132.09 105.45 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.611 ' CA ' HG13 ' A' ' 37' ' ' VAL . . . 43.39 -101.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.654 ' HG2' HG22 ' A' ' 37' ' ' VAL . 7.4 ptt180 -113.71 38.48 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -138.75 109.41 6.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -113.42 138.05 50.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -150.91 147.94 27.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.41 HD11 HD21 ' A' ' 56' ' ' LEU . 4.6 tt -111.29 122.08 46.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.5 mt -103.4 147.82 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.0 mt -134.81 119.69 13.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.728 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -36.87 10.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.7 2.267 . . . . 0.0 112.348 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -132.92 115.54 15.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.409 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -86.16 98.84 11.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.058 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -91.76 149.05 21.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.0 t -48.42 -32.85 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -65.76 -39.24 90.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -62.15 -8.84 6.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.8 m -66.66 99.19 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.95 -177.28 42.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -85.97 136.1 33.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.895 0.379 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -109.33 124.34 50.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -110.78 144.42 39.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.8 t -127.13 96.21 4.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -85.67 145.49 27.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.659 HG21 HD21 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -132.32 -75.49 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.542 ' H ' HG23 ' A' ' 84' ' ' THR . 16.1 tm-20 -116.54 -68.87 0.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.99 -20.51 2.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.6 m -116.15 176.47 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 0.0 111.1 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -157.56 153.0 26.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.69 136.56 41.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -108.51 124.27 50.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.445 ' HA ' HG22 ' A' ' 18' ' ' VAL . 42.9 m-85 -120.27 115.1 22.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.91 118.08 5.56 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.2 t -121.84 124.73 72.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 53.2 m -135.99 112.95 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 73.1 t -96.64 116.76 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -109.38 127.37 54.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -68.86 134.55 90.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.431 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.804 0.252 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 85' ' ' GLU . 9.5 p -155.15 127.28 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.471 ' CD2' ' HB2' ' A' ' 35' ' ' SER . 2.2 p-80 -124.16 161.76 25.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.63 HD13 ' HB2' ' A' ' 89' ' ' ALA . 75.0 mt -88.71 139.77 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.46 HD12 ' HG2' ' A' ' 33' ' ' GLU . 4.8 mt -102.71 -38.65 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.525 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 2.5 t -148.21 133.18 9.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.66 0.743 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.2 Cg_endo -69.75 -168.35 4.34 Favored 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.743 -1.774 . . . . 0.0 112.322 -0.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -111.93 -22.03 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -156.95 179.09 9.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -49.0 133.56 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 34.6 m -115.54 -175.33 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.411 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 1.7 t -151.94 138.87 19.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.411 ' HG ' ' C ' ' A' ' 19' ' ' SER . 5.9 mt -147.67 156.36 42.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 25.4 m -139.16 147.62 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 21' ' ' THR . 46.6 m-85 -151.21 173.1 14.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.495 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 30.1 m -111.13 140.02 46.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.455 ' HB ' ' CD ' ' A' ' 98' ' ' PRO . 96.3 m -44.69 146.98 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m 62.85 44.47 6.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 23' ' ' THR . 16.0 mm-40 -128.24 179.24 5.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -106.31 113.82 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 72' ' ' ALA . 80.9 t -109.24 133.25 55.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.817 HG13 HG13 ' A' ' 68' ' ' ILE . 24.1 t -140.64 112.05 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.6 mt -78.79 -175.81 4.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.0 m -157.2 145.75 19.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.9 t -162.31 155.33 20.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.46 ' HG2' HD12 ' A' ' 12' ' ' LEU . 17.8 tt0 -130.92 153.99 48.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.8 mt -127.37 172.37 10.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.471 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 3.4 t -93.0 -17.69 23.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.462 ' HG2' HG23 ' A' ' 9' ' ' VAL . 51.5 mmt-85 -123.64 139.42 54.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.507 HG22 ' H ' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -85.24 175.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.507 ' H ' HG22 ' A' ' 37' ' ' VAL . 36.1 t70 35.54 38.44 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.543 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 5.2 t80 -101.99 140.37 21.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.85 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.543 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.76 161.2 46.86 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.307 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.98 156.01 3.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.9 m -132.25 134.16 44.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -89.09 133.45 34.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -123.43 145.8 48.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.005 0.431 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -130.37 127.33 39.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.934 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 46.08 32.31 1.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.56 31.78 39.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -144.43 120.05 10.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -53.71 137.53 37.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.3 m -90.11 147.6 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -110.38 114.05 27.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -50.14 129.64 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 p -157.2 -176.33 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.26 -33.25 74.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.575 ' O ' HD23 ' A' ' 69' ' ' LEU . 38.5 mt -89.37 -1.6 58.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.604 HD21 HD11 ' A' ' 67' ' ' LEU . 3.6 tt -139.57 106.14 5.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 t -104.27 130.44 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.519 HG22 ' HG ' ' A' ' 67' ' ' LEU . 89.8 t -121.35 111.87 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -99.28 158.21 15.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.9 ttp -147.58 115.17 6.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -112.02 45.65 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.47 ' HA3' HG22 ' A' ' 37' ' ' VAL . . . 80.64 -88.68 1.32 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.448 ' HG2' ' C ' ' A' ' 36' ' ' ARG . 52.3 mtm180 -99.69 25.09 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.852 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -141.84 124.1 15.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -126.26 113.05 16.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -129.76 141.83 50.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.604 HD11 HD21 ' A' ' 56' ' ' LEU . 2.6 tt -107.4 121.99 45.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.817 HG13 HG13 ' A' ' 29' ' ' VAL . 12.7 mt -99.41 153.7 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 55' ' ' LEU . 30.3 mt -140.3 119.32 8.6 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.622 0.725 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -38.18 8.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -134.42 100.94 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.498 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -84.13 103.48 13.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -99.17 169.37 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.3 t -52.8 -32.34 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -69.36 -38.91 78.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -24.68 62.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.2 p -60.25 116.04 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 179.19 -177.16 48.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -97.74 128.47 44.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -107.16 155.95 19.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.451 ' OE1' ' C ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -151.0 140.0 21.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 39.3 t -106.23 83.56 1.91 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.405 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 13.4 ttt180 -64.68 134.07 53.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 87' ' ' VAL . 15.3 t -145.41 173.17 12.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.507 ' O ' HG12 ' A' ' 9' ' ' VAL . 1.1 tm-20 -72.21 68.54 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.06 -66.59 0.21 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.447 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.703 ' O ' HG22 ' A' ' 84' ' ' THR . 22.4 m -142.63 -177.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 111.086 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.78 148.8 37.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.63 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -101.55 166.16 10.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -136.26 123.22 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.467 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 83.7 m-85 -124.71 124.07 41.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.42 115.87 5.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.532 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.1 t -114.54 149.68 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.5 m -145.09 115.15 7.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.1 t -102.54 97.96 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -83.73 125.42 31.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -67.4 130.67 93.35 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.569 0.699 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.455 ' CD ' ' HB ' ' A' ' 24' ' ' THR . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.166 0 C-N-CA 122.697 2.264 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.421 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.83 0.262 . . . . 0.0 112.365 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 p -165.47 130.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -126.53 163.84 22.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 33' ' ' GLU . 30.8 mt -90.42 138.76 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.602 HD12 ' OE2' ' A' ' 33' ' ' GLU . 2.7 mt -104.78 -33.91 8.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.513 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 40.9 t -153.23 130.52 5.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.702 0.763 . . . . 0.0 110.823 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.9 Cg_endo -69.72 179.71 21.46 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.345 -0.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -100.14 -34.93 9.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -142.68 174.21 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 18.5 tptm -44.14 146.44 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 18.1 m -125.4 -179.92 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.5 p -150.97 119.07 6.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mt -130.78 156.43 44.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.435 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 19.7 m -140.07 155.04 47.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.452 ' CG ' HG22 ' A' ' 28' ' ' VAL . 78.0 m-85 -158.08 174.37 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.441 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 33.5 m -110.08 143.52 40.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.9 m -47.15 146.27 1.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 m 63.46 46.43 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 23' ' ' THR . 5.8 mm-40 -130.68 178.43 6.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.483 HH12 HG21 ' A' ' 29' ' ' VAL . 36.3 ttt-85 -106.1 116.75 32.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.452 HG22 ' CG ' ' A' ' 22' ' ' PHE . 84.5 t -114.44 128.52 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.624 HG13 ' CG1' ' A' ' 68' ' ' ILE . 28.3 t -133.49 124.4 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.9 mt -94.08 -177.1 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.1 m -158.3 142.25 15.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.8 t -150.54 158.03 43.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.602 ' OE2' HD12 ' A' ' 12' ' ' LEU . 32.7 tt0 -136.69 148.05 47.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.2 mt -126.29 172.57 9.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.7 p -87.45 -25.11 23.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.421 ' CZ ' ' O ' ' A' ' 8' ' ' PRO . 18.0 mtm180 -114.65 145.37 42.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.576 HG22 ' CA ' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -93.28 157.86 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t70 51.03 46.02 26.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.516 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 11.9 t80 -108.14 139.58 20.84 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.733 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.78 152.37 69.2 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.16 172.3 16.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.5 m -142.54 129.48 20.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.401 ' O ' HG22 ' A' ' 50' ' ' VAL . 76.8 m95 -88.67 125.79 35.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -119.06 139.23 52.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.932 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -126.89 132.05 51.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 t0 50.65 34.71 10.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.849 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.75 37.27 92.25 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -153.34 127.21 8.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -43.36 139.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 43' ' ' TRP . 31.5 m -84.73 155.72 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -105.69 107.09 17.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.03 117.54 6.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.7 t -159.11 -177.05 6.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -58.64 -33.72 70.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.4 mt -79.11 -14.59 59.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.45 HD21 HD21 ' A' ' 67' ' ' LEU . 5.8 tt -131.62 107.38 8.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.2 t -103.28 127.97 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.528 HG22 ' CD2' ' A' ' 67' ' ' LEU . 17.1 t -116.13 102.91 14.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -100.45 147.57 25.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -143.7 132.89 23.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -126.11 81.4 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.576 ' CA ' HG22 ' A' ' 37' ' ' VAL . . . 63.79 -84.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.02 34.08 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -139.84 112.72 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -111.65 126.39 54.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -137.04 144.68 43.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.528 ' CD2' HG22 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -110.82 116.85 31.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.624 ' CG1' HG13 ' A' ' 29' ' ' VAL . 50.7 mt -101.17 150.42 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.7 mt -138.04 118.69 10.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.722 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -38.4 7.99 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.384 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -135.06 93.81 3.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.93 101.06 5.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -95.56 166.86 11.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.4 t -54.74 -23.99 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -77.71 -26.85 50.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.77 -23.91 62.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 p -57.52 103.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.63 -179.79 41.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -98.84 133.13 43.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -107.35 153.8 22.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -148.79 129.37 14.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.9 t -98.67 82.99 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -64.23 131.64 47.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.767 HG22 ' O ' ' A' ' 87' ' ' VAL . 14.2 t -142.85 175.01 10.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -72.12 72.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 158.05 -67.38 0.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.767 ' O ' HG22 ' A' ' 84' ' ' THR . 29.6 m -141.46 -177.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 111.119 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.22 153.22 43.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.43 172.44 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.408 ' O ' HG22 ' A' ' 18' ' ' VAL . 57.0 m-85 -142.14 124.6 15.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.447 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 92.7 m-85 -127.77 115.22 18.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.74 114.92 4.63 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.96 131.35 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.0 m -126.9 121.85 32.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.6 t -104.67 99.69 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -87.1 125.54 34.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -68.24 133.0 91.5 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 -179.943 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.83 0.262 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.771 HG11 ' CE2' ' A' ' 39' ' ' PHE . 4.6 p -149.7 128.45 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -128.95 134.51 48.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.739 HD12 HG23 ' A' ' 87' ' ' VAL . 29.1 mt -67.7 144.86 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt -110.8 -31.59 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.53 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 14.9 m -154.5 135.65 8.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.664 0.745 . . . . 0.0 110.819 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.8 Cg_endo -69.74 177.26 29.42 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.336 -0.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -92.53 -35.29 13.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -147.61 177.8 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -45.34 130.47 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 33.3 m -110.86 -178.12 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 t -152.57 134.05 14.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -143.2 158.4 43.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.7 m -138.63 152.83 48.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -155.55 171.01 20.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.451 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 35.1 m -107.11 149.68 27.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.8 m -49.53 144.31 5.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 m 62.66 47.36 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 23' ' ' THR . 6.2 mm-40 -126.8 174.24 8.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.0 ttt85 -103.51 121.81 43.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.2 t -116.82 133.36 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.692 HG13 HG13 ' A' ' 68' ' ' ILE . 24.7 t -140.44 109.81 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -78.14 -175.08 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.547 ' O ' ' CZ ' ' A' ' 91' ' ' PHE . 28.7 m -160.15 145.81 15.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.7 t -155.02 152.17 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -127.96 150.9 49.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 27.2 mt -134.07 169.82 16.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 t -104.14 34.84 2.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -161.21 118.94 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.509 HG22 ' HG2' ' A' ' 63' ' ' ARG . 41.3 t -73.72 146.23 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 t70 55.34 49.59 16.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.771 ' CE2' HG11 ' A' ' 9' ' ' VAL . 3.4 t80 -108.12 140.61 21.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.662 0.744 . . . . 0.0 110.89 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.0 Cg_endo -69.77 156.04 64.33 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.424 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . . . -172.69 149.94 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.5 m -127.97 130.54 48.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.536 ' CD1' HG21 ' A' ' 58' ' ' VAL . 68.5 m95 -84.1 134.2 34.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -125.9 143.82 50.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.988 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -132.21 127.86 36.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 t0 51.2 36.27 15.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.59 35.9 75.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.434 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -149.06 118.53 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -46.3 139.25 4.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 m -91.3 143.68 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -104.76 104.71 14.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.481 ' CD ' HG12 ' A' ' 58' ' ' VAL . 25.5 mt-10 -51.9 112.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.6 p -140.81 -175.39 4.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.2 -32.41 71.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.3 mt -88.04 -13.33 41.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.951 HD21 HD11 ' A' ' 67' ' ' LEU . 4.8 tt -132.87 99.64 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' ILE . 59.6 t -101.89 151.49 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.536 HG21 ' CD1' ' A' ' 43' ' ' TRP . 3.4 p -154.61 125.29 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -104.44 166.25 10.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.554 ' HG3' ' CE1' ' A' ' 65' ' ' HIS . 2.9 ttp -145.08 105.11 4.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.8 t70 -107.1 102.15 11.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 47.98 -93.21 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.509 ' HG2' HG22 ' A' ' 37' ' ' VAL . 14.5 ptt180 -117.54 37.46 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -139.4 116.65 11.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.554 ' CE1' ' HG3' ' A' ' 60' ' ' MET . 33.9 m-70 -112.25 139.13 48.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -151.54 141.69 22.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.951 HD11 HD21 ' A' ' 56' ' ' LEU . 5.7 tt -109.96 121.73 45.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.692 HG13 HG13 ' A' ' 29' ' ' VAL . 26.3 mt -98.23 157.2 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.509 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 43.7 mt -143.98 119.15 6.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -39.84 5.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.656 2.237 . . . . 0.0 112.333 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -134.47 103.17 5.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.83 96.84 5.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.88 153.5 21.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.2 t -47.76 -29.54 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -76.9 -32.1 57.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -61.85 -21.96 65.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.0 p -64.37 125.96 26.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.9 -152.91 13.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -116.48 130.8 56.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.604 ' CE2' HD13 ' A' ' 67' ' ' LEU . 25.1 m-85 -106.36 154.13 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -148.03 130.27 15.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 11.8 t -99.38 74.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -58.17 134.34 56.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 87' ' ' VAL . 14.9 t -150.82 166.06 31.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.485 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -66.42 76.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.27 -72.03 0.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.739 HG23 HD12 ' A' ' 11' ' ' ILE . 30.8 m -137.59 175.9 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 111.109 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.4 147.64 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.16 179.75 4.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -151.13 127.65 10.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.547 ' CZ ' ' O ' ' A' ' 31' ' ' THR . 81.7 m-85 -128.1 119.03 24.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.54 120.36 5.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.4 t -120.85 143.87 31.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 0.0 111.111 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.2 m -140.87 112.69 7.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.5 t -98.48 112.75 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -107.14 126.16 52.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -66.41 138.91 95.96 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.594 0.711 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.451 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.357 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.856 0.273 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.407 ' CG1' ' HB2' ' A' ' 85' ' ' GLU . 7.3 p -164.68 134.59 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -135.51 130.94 35.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 89' ' ' ALA . 97.6 mt -52.91 150.25 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.469 HD12 ' HG2' ' A' ' 33' ' ' GLU . 6.2 mt -114.69 -35.28 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 1.6 t -149.24 132.73 8.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.741 . . . . 0.0 110.831 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.81 178.89 24.01 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.345 -0.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -96.59 -38.06 10.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' LYS . 2.0 p30 -140.54 164.07 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ASP . 29.5 tttt -35.43 130.01 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.532 HG22 ' HA ' ' A' ' 91' ' ' PHE . 14.2 m -109.66 155.8 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -125.63 126.99 45.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.7 mt -139.87 155.63 47.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -140.55 134.75 31.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.518 ' CG ' HG22 ' A' ' 28' ' ' VAL . 83.1 m-85 -134.01 165.39 25.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.434 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 89.1 m -103.57 150.8 23.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.168 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.8 m -52.16 144.6 12.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.8 m 64.07 49.88 2.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -135.71 178.43 7.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -103.24 116.24 32.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.518 HG22 ' CG ' ' A' ' 22' ' ' PHE . 87.9 t -110.52 112.58 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 p -127.87 122.61 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.7 mt -92.37 -174.79 3.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.6 m -153.57 135.54 14.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.0 t -146.69 141.59 26.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' HG2' HD12 ' A' ' 12' ' ' LEU . 14.9 tt0 -123.35 153.25 40.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.2 mt -129.91 171.62 12.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.3 p -89.4 -28.86 19.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -101.25 145.74 28.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.679 HG22 ' HG2' ' A' ' 63' ' ' ARG . 95.3 t -96.11 141.87 14.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.488 ' CG ' HG12 ' A' ' 37' ' ' VAL . 29.2 m-20 62.31 36.26 14.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.513 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 16.2 t80 -94.31 139.5 22.47 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.642 0.735 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.513 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.2 Cg_endo -69.78 149.52 66.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.622 2.215 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.42 174.7 13.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.5 m -149.75 144.6 26.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -97.51 125.59 42.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -122.86 136.86 55.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -123.28 132.7 54.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t70 46.79 37.97 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.39 40.15 97.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -150.73 124.16 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -47.38 140.76 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.4 m -88.94 152.46 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -107.63 98.52 8.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 mp0 -51.49 124.26 11.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 56' ' ' LEU . 24.0 p -162.18 174.43 12.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -49.28 -38.19 26.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 69' ' ' LEU . 97.3 mt -74.52 -21.8 59.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.591 ' HG ' HD21 ' A' ' 67' ' ' LEU . 5.9 tt -129.42 106.93 9.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.5 t -101.73 130.96 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.9 t -121.86 108.93 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -99.15 146.82 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.521 ' HG3' ' CE1' ' A' ' 65' ' ' HIS . 2.4 ttt -124.45 147.65 48.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.474 ' N ' ' HG2' ' A' ' 60' ' ' MET . 4.8 m-20 -161.07 152.42 19.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 63' ' ' ARG . . . -35.14 121.64 0.49 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.679 ' HG2' HG22 ' A' ' 37' ' ' VAL . 2.6 ptp180 33.94 42.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.863 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -156.27 115.4 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.521 ' CE1' ' HG3' ' A' ' 60' ' ' MET . 50.8 m-70 -128.99 141.37 51.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -154.2 152.36 30.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.591 HD21 ' HG ' ' A' ' 56' ' ' LEU . 3.5 tt -113.66 126.2 55.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 69' ' ' LEU . 14.3 mt -103.61 152.3 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 55' ' ' LEU . 18.2 mt -139.99 119.42 8.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.719 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -39.4 6.52 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.632 2.221 . . . . 0.0 112.334 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -131.51 120.48 23.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.443 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -88.44 99.0 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' ASP . 12.2 pttm -94.82 146.35 24.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.933 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.9 t -42.21 -32.84 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -68.65 -38.23 80.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' LYS . 21.0 m-20 -52.56 -31.93 38.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.2 p -55.19 119.76 6.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.18 175.63 39.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -80.46 126.75 31.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -106.42 131.65 53.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 90' ' ' PHE . 5.6 tt0 -121.36 138.34 54.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 34.9 t -119.27 82.36 1.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -74.34 144.41 44.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.524 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -128.43 -75.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.524 ' H ' HG23 ' A' ' 84' ' ' THR . 0.9 OUTLIER -117.12 -65.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.21 -17.64 1.77 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.27 174.01 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.82 150.11 17.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.836 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.642 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -102.91 136.32 42.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 81' ' ' GLU . 3.4 m-85 -102.08 135.83 42.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.532 ' HA ' HG22 ' A' ' 18' ' ' VAL . 50.8 m-85 -126.95 113.78 16.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -84.07 110.16 3.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.438 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 84.1 t -112.51 145.09 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.4 m -142.28 112.31 6.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.9 t -95.28 111.58 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -104.83 128.79 53.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -73.56 134.91 78.81 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.635 0.731 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.434 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.808 0.253 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.513 HG11 ' CE2' ' A' ' 39' ' ' PHE . 6.3 p -158.73 138.56 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.473 ' HD2' HD23 ' A' ' 12' ' ' LEU . 5.6 p-80 -136.82 147.32 46.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.455 ' H ' HG21 ' A' ' 87' ' ' VAL . 70.2 mt -73.93 145.81 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.522 HD12 ' CD ' ' A' ' 33' ' ' GLU . 3.4 mt -109.36 -33.48 6.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.538 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 47.6 t -155.47 136.68 9.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.75 -178.11 16.0 Favored 'Cis proline' 0 C--O 1.231 0.15 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.322 -0.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -97.31 -34.72 10.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -145.04 167.43 22.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -40.22 131.66 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 91' ' ' PHE . 21.5 m -108.54 -179.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 t -144.68 132.03 20.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mt -144.44 158.14 43.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.6 m -143.1 140.48 30.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -141.73 175.16 9.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.2 m -108.11 145.13 34.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.9 m -51.4 140.55 17.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.4 m 69.32 48.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -133.07 163.62 28.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -94.75 114.74 26.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.3 t -108.17 143.65 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.803 HG22 HG12 ' A' ' 68' ' ' ILE . 59.8 t -145.52 105.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.5 mt -75.83 -174.97 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 m -161.34 136.37 7.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.4 t -151.98 146.98 26.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.522 ' CD ' HD12 ' A' ' 12' ' ' LEU . 50.9 tt0 -118.7 153.04 35.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.0 mt -135.13 175.31 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 t -107.48 32.14 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.441 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 26.0 mtp85 -159.32 121.53 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.632 HG13 ' HA2' ' A' ' 62' ' ' GLY . 25.5 t -75.72 144.2 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 50.16 51.56 16.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.529 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 10.5 t80 -104.21 139.66 20.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.79 142.73 48.59 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.657 2.238 . . . . 0.0 112.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.94 170.54 21.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.6 m -146.72 113.17 5.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -70.51 135.65 48.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 63.8 m-85 -126.11 135.61 51.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -124.48 128.74 49.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 t70 49.48 41.31 20.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.03 39.37 97.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.461 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -148.45 130.62 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 39.4 tttt -56.25 141.85 39.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.4 m -93.67 154.61 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -107.28 126.36 52.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -75.91 111.79 11.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 t -157.88 177.69 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.799 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -49.08 -39.64 28.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.7 mt -71.02 -23.39 62.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.682 ' HG ' HD21 ' A' ' 67' ' ' LEU . 8.0 tt -131.15 105.48 7.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.1 t -102.49 137.88 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.0 t -129.0 123.89 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -119.12 162.52 18.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.49 ' SD ' ' CE1' ' A' ' 65' ' ' HIS . 31.0 ttp -141.16 113.87 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.96 77.2 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.632 ' HA2' HG13 ' A' ' 37' ' ' VAL . . . 39.28 93.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HG3' HG22 ' A' ' 37' ' ' VAL . 64.3 mtt180 65.32 25.37 12.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.901 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -133.79 105.79 6.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.49 ' CE1' ' SD ' ' A' ' 60' ' ' MET . 82.6 m-70 -109.57 116.26 31.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -132.44 144.2 50.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.682 HD21 ' HG ' ' A' ' 56' ' ' LEU . 3.2 tt -111.03 122.37 47.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.803 HG12 HG22 ' A' ' 29' ' ' VAL . 17.4 mt -102.16 152.51 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.424 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 29.2 mt -139.08 118.86 9.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -37.59 8.81 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.664 2.243 . . . . 0.0 112.304 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -134.02 99.72 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.55 98.78 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -91.99 -179.07 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.64 -27.68 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -66.15 -43.13 87.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.37 -11.99 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -69.08 90.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -161.46 -144.79 4.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -126.55 133.95 50.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.588 ' CE2' HD13 ' A' ' 67' ' ' LEU . 9.3 m-85 -106.48 163.89 12.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -157.15 131.31 8.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 52.5 t -97.09 77.52 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -59.07 124.41 19.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.824 HG22 ' O ' ' A' ' 87' ' ' VAL . 14.5 t -138.36 165.73 26.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.06 80.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.96 -69.16 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.824 ' O ' HG22 ' A' ' 84' ' ' THR . 27.7 m -135.7 -177.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.09 154.09 37.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.43 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -105.78 171.66 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -141.77 120.69 12.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.441 ' HA ' HG22 ' A' ' 18' ' ' VAL . 87.2 m-85 -119.03 112.26 19.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.32 95.79 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 97.1 t -97.96 143.5 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.398 . . . . 0.0 111.09 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.1 m -147.24 112.46 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.212 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.7 t -95.71 108.58 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -98.01 122.91 41.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -61.61 139.68 95.16 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.573 0.701 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.232 . . . . 0.0 112.351 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 CA-C-O 120.847 0.27 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.511 HG12 ' O ' ' A' ' 85' ' ' GLU . 6.3 p -148.21 129.59 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -127.6 133.78 49.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.427 HD13 ' HB2' ' A' ' 89' ' ' ALA . 62.6 mt -69.4 144.44 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mt -107.86 -37.86 5.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.519 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 39.7 t -150.2 135.52 9.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.71 -178.27 16.28 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.386 -0.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -96.36 -40.44 9.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -143.62 173.93 11.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -40.52 132.62 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 27.4 m -113.56 178.5 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 m -147.95 122.83 10.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -133.72 162.0 33.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.5 m -140.02 150.87 44.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.738 ' CD2' HG22 ' A' ' 28' ' ' VAL . 82.0 m-85 -151.93 175.26 12.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 24' ' ' THR . 23.1 m -111.09 155.41 22.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.147 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.413 ' N ' HG22 ' A' ' 23' ' ' THR . 60.5 m -61.32 140.87 57.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 66.23 47.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -131.19 175.8 8.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.4 ttt85 -104.26 112.89 26.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.738 HG22 ' CD2' ' A' ' 22' ' ' PHE . 54.4 t -109.55 132.95 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.691 HG13 ' CG1' ' A' ' 68' ' ' ILE . 16.7 t -138.34 114.45 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.5 mt -81.44 -175.06 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 m -157.69 142.72 16.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.1 t -163.44 133.97 4.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -107.53 142.5 37.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.552 HD12 ' CD2' ' A' ' 65' ' ' HIS . 27.7 mt -116.42 171.99 7.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 t -108.65 25.83 11.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.472 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 13.3 mtp85 -150.57 117.7 5.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.49 HG22 ' HG3' ' A' ' 63' ' ' ARG . 98.6 t -75.23 136.58 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 62.14 42.68 9.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.48 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 3.8 t80 -103.4 139.09 19.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.48 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.4 Cg_endo -69.81 150.0 67.3 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.3 159.74 37.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.2 m -138.77 120.8 15.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -81.21 138.48 35.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.512 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 69.3 m-85 -129.29 135.81 49.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.955 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -117.9 132.89 56.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 t70 46.24 38.83 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.45 37.44 92.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.507 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -148.26 128.86 14.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.512 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 16.7 ttmt -48.33 144.31 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.405 ' HB ' ' CD1' ' A' ' 56' ' ' LEU . 16.3 m -94.4 147.6 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -102.38 115.6 30.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.0 115.21 5.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 t -156.75 179.35 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -55.45 -31.06 61.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.5 mt -80.41 -16.56 54.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.462 ' HG ' HD11 ' A' ' 67' ' ' LEU . 9.5 tt -131.49 107.34 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.8 t -105.06 132.72 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.839 HG22 HD22 ' A' ' 67' ' ' LEU . 92.1 t -124.42 120.43 59.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -104.75 134.41 47.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' CE1' ' A' ' 65' ' ' HIS . 0.7 OUTLIER -125.15 119.02 27.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -133.78 102.1 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.421 ' CA ' HG13 ' A' ' 37' ' ' VAL . . . 44.58 -98.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HG3' HG22 ' A' ' 37' ' ' VAL . 58.3 mtm180 -112.01 38.04 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.367 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -135.2 113.28 11.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.575 ' CE1' ' HG3' ' A' ' 60' ' ' MET . 39.1 m-70 -122.94 126.06 46.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -142.36 161.39 38.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.839 HD22 HG22 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -121.69 118.42 29.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.691 ' CG1' HG13 ' A' ' 29' ' ' VAL . 61.5 mt -100.98 153.37 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.431 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 45.6 mt -142.42 118.48 6.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 110.918 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -37.31 9.46 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -133.42 98.81 4.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.21 92.34 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.085 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -84.65 153.83 22.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.2 t -43.15 -38.08 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -60.55 -41.19 94.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -48.88 -35.21 14.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.5 p -48.46 103.76 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.21 -151.74 7.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -123.6 129.15 50.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -107.0 144.03 34.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -138.09 130.15 28.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 48.7 t -91.83 76.28 5.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -59.57 127.25 31.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.769 HG22 ' O ' ' A' ' 87' ' ' VAL . 14.8 t -143.49 167.27 22.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.511 ' O ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -65.69 79.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 151.47 -72.72 0.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.769 ' O ' HG22 ' A' ' 84' ' ' THR . 35.7 m -136.68 -177.25 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 111.13 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.17 150.73 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.427 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -103.28 172.11 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -134.92 129.5 34.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.468 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 94.5 m-85 -128.52 123.5 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.98 120.38 6.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 94.2 t -117.57 135.78 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 111.189 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 52.8 m -130.42 109.95 11.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.0 t -95.91 105.3 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -97.78 125.82 42.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -72.08 130.43 86.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.634 0.73 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.788 0.245 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.8 p -159.33 136.25 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.167 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -129.0 133.95 47.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.7 mt -57.31 148.15 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 mt -116.47 -34.82 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.508 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 29.6 t -150.01 129.17 6.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.687 0.756 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.77 -174.02 9.11 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.364 -0.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -101.11 -36.66 8.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -145.0 175.88 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 tptm -48.51 130.79 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 28.4 m -110.47 170.23 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.407 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 11.4 t -135.07 132.13 37.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.407 ' HG ' ' C ' ' A' ' 19' ' ' SER . 5.6 mt -147.25 149.38 32.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 m -131.69 131.94 43.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -132.75 169.02 17.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 25.6 m -110.58 151.44 27.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.3 m -51.62 149.64 4.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 p 60.49 45.45 10.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 23' ' ' THR . 9.4 mm-40 -129.4 176.1 8.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -104.1 117.34 34.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.3 t -114.5 114.2 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -127.96 116.16 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.6 mt -87.53 -175.01 5.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.0 m -157.52 135.24 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.2 t -141.56 153.99 45.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -134.24 151.75 51.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.5 mt -127.61 173.94 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -87.19 -22.97 24.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -116.72 145.46 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.537 HG13 ' OD2' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -91.8 163.1 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.537 ' OD2' HG13 ' A' ' 37' ' ' VAL . 2.9 p30 47.31 42.09 13.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.515 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 23.0 t80 -103.34 139.29 19.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.2 Cg_endo -69.72 149.35 67.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -161.1 177.82 9.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.3 m -154.49 141.6 19.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -94.13 143.81 26.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.449 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 96.9 m-85 -140.32 151.25 44.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -131.92 126.47 34.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 51.71 38.06 21.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.83 29.97 66.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -133.75 155.8 49.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.449 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 74.4 tttt -83.8 126.7 33.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.1 m -75.06 157.43 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -112.59 107.42 16.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -59.7 118.24 5.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 p -154.8 -178.44 7.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -54.96 -38.09 67.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.5 mt -80.35 -10.44 59.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.652 HD21 HD11 ' A' ' 67' ' ' LEU . 1.5 tt -131.01 104.9 7.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.4 t -102.12 135.62 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.657 HG22 ' HG ' ' A' ' 67' ' ' LEU . 89.3 t -128.15 104.83 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -99.26 134.21 42.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.419 ' C ' ' SD ' ' A' ' 60' ' ' MET . 0.4 OUTLIER -121.32 134.98 55.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -134.76 88.61 2.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.474 ' CA ' HG22 ' A' ' 37' ' ' VAL . . . 51.79 -95.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.421 ' HG2' HG23 ' A' ' 37' ' ' VAL . 10.7 ptt180 -109.62 32.13 5.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -142.41 107.59 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -111.19 130.33 55.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -140.83 142.38 34.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.657 ' HG ' HG22 ' A' ' 58' ' ' VAL . 2.4 tt -107.35 124.2 49.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.4 mt -103.26 148.36 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.491 HD13 ' OD2' ' A' ' 76' ' ' ASP . 53.6 mt -137.14 119.67 11.45 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.615 0.722 . . . . 0.0 110.958 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -36.08 11.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -132.81 114.71 14.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.25 95.07 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -86.93 148.07 25.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.5 t -42.2 -37.01 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -64.64 -40.52 95.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.491 ' OD2' HD13 ' A' ' 69' ' ' LEU . 20.0 t0 -49.56 -31.77 11.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 p -55.06 124.74 17.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.17 176.42 32.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -80.62 131.81 35.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -107.1 128.34 54.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -116.67 136.67 52.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 17.3 t -114.72 78.24 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.2 mtp85 -66.06 128.72 37.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -116.22 -74.3 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.448 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 4.5 tp10 -119.69 -64.9 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.14 -22.26 1.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.435 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.7 m -113.33 172.78 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.29 162.58 40.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.78 170.17 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.03 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -135.56 115.37 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.468 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 79.7 m-85 -115.72 113.91 24.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.48 117.56 4.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.2 t -120.55 145.94 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.927 0.394 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.559 HG22 ' HG3' ' A' ' 96' ' ' GLN . 96.7 m -142.31 109.4 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.1 t -96.27 96.76 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.559 ' HG3' HG22 ' A' ' 94' ' ' THR . 75.4 mt-30 -95.41 122.35 38.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -63.27 134.83 95.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.565 0.698 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.448 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.795 0.248 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.8 p -164.72 153.62 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -154.93 135.04 13.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -60.5 145.81 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 mt -110.39 -36.16 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 2.2 t -152.32 137.22 10.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.676 0.751 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.74 -176.16 12.12 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.378 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -99.88 -37.5 9.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.24 170.04 16.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.2 tptm -44.62 134.0 5.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 30.6 m -113.56 170.95 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.1 p -142.47 131.8 23.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -140.91 165.94 26.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.1 m -142.49 144.53 33.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -145.58 170.55 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.402 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 57.7 m -113.37 152.8 29.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.2 m -51.99 143.91 12.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 m 62.54 49.01 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.801 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -130.32 178.35 6.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -104.43 114.2 28.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 72' ' ' ALA . 96.6 t -108.15 112.69 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.14 109.81 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.7 mt -79.28 -174.38 4.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.47 ' O ' ' CE2' ' A' ' 91' ' ' PHE . 21.9 m -155.34 137.17 14.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.1 t -151.74 148.41 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -124.85 155.79 38.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.446 HD12 ' CD2' ' A' ' 65' ' ' HIS . 60.0 mt -136.21 -177.47 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 t -114.77 8.32 16.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.438 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 2.4 mmp_? -135.27 140.9 45.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.561 HG22 ' HG3' ' A' ' 63' ' ' ARG . 71.0 t -96.11 153.12 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.412 ' N ' HG12 ' A' ' 37' ' ' VAL . 28.9 m-20 51.97 31.76 9.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.529 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 6.7 t80 -91.4 140.07 25.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.65 0.738 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.2 Cg_endo -69.78 148.16 64.31 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.254 . . . . 0.0 112.347 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.75 170.03 19.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.5 m -154.5 136.92 14.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -88.27 138.23 31.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 96.5 m-85 -132.98 132.75 42.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -117.27 128.28 54.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 50.26 42.95 26.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.52 38.2 95.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.476 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -146.91 124.56 11.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.532 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 43.3 tttm -50.2 144.72 6.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.3 m -90.28 151.77 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -98.92 119.38 37.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -77.29 115.59 17.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.7 p -159.15 -179.38 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -53.92 -34.35 59.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.9 mt -79.43 -11.81 59.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.486 HD21 HD11 ' A' ' 67' ' ' LEU . 2.3 tt -132.7 105.55 7.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.704 HG12 ' HD3' ' A' ' 59' ' ' LYS . 13.9 t -102.01 125.67 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.2 t -112.46 112.65 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.704 ' HD3' HG12 ' A' ' 57' ' ' VAL . 5.6 mmmm -102.42 133.79 46.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.462 ' HG3' ' CE1' ' A' ' 65' ' ' HIS . 5.3 ttp -123.47 102.13 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.16 75.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.15 -95.87 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.509 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.561 ' HG3' HG22 ' A' ' 37' ' ' VAL . 25.2 mtt180 -95.59 -19.11 20.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -93.24 123.34 36.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.462 ' CE1' ' HG3' ' A' ' 60' ' ' MET . 21.6 m-70 -123.21 129.26 51.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.823 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -142.24 155.02 45.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.486 HD11 HD21 ' A' ' 56' ' ' LEU . 3.1 tt -119.09 123.56 44.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.441 ' N ' HD23 ' A' ' 67' ' ' LEU . 17.5 mt -100.0 151.34 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 30.8 mt -140.3 119.2 8.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.616 0.722 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -38.93 7.18 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.379 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -129.35 109.87 11.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.486 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -80.25 93.23 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -84.59 146.08 27.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.9 t -43.76 -31.58 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -68.93 -39.28 79.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -52.15 -33.52 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 p -52.67 139.2 26.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.37 -159.48 28.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -103.72 129.64 51.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -107.43 130.56 54.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -119.95 132.23 55.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.0 t -110.1 95.97 5.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -86.79 150.84 23.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.699 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -135.0 -75.12 0.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.699 ' H ' HG23 ' A' ' 84' ' ' THR . 17.9 tt0 -118.28 -65.16 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.33 -22.74 1.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.2 m -114.88 158.64 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.53 168.35 19.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.4 ' C ' ' CD1' ' A' ' 90' ' ' PHE . . . -108.18 179.18 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 89' ' ' ALA . 55.4 m-85 -146.94 125.39 12.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.471 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 62.4 m-85 -128.82 117.78 21.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.72 130.09 9.48 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.4 t -131.25 142.64 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 64.3 m -141.18 109.43 5.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.7 t -94.04 100.76 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -94.24 121.7 36.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -66.24 133.05 94.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.402 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.772 0.238 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 85' ' ' GLU . 1.5 p -142.27 132.13 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.543 ' CE1' ' OG ' ' A' ' 35' ' ' SER . 29.0 p-80 -134.69 131.38 37.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.475 ' H ' HG21 ' A' ' 87' ' ' VAL . 49.9 mt -66.5 139.7 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -105.44 -32.6 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.523 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 30.1 t -158.85 130.83 4.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.654 0.74 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.3 Cg_endo -69.82 -169.89 5.46 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.342 0.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -125.54 -29.48 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -135.39 158.58 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.42 ' HE2' ' CD ' ' A' ' 79' ' ' GLU . 16.3 tptp -40.06 129.95 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 91' ' ' PHE . 16.7 m -108.79 178.04 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -149.97 118.72 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mt -130.61 153.76 48.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.419 HG21 ' NE2' ' A' ' 96' ' ' GLN . 17.9 m -139.88 136.2 33.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.537 ' CG ' HG22 ' A' ' 28' ' ' VAL . 93.9 m-85 -135.58 167.05 21.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.488 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 78.1 m -102.92 144.66 30.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.132 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 25' ' ' SER . 91.1 m -46.13 156.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.467 ' N ' HG22 ' A' ' 24' ' ' THR . 96.4 p 51.78 51.0 17.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 23' ' ' THR . 31.5 mm-40 -137.52 174.16 10.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -99.16 115.88 30.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.537 HG22 ' CG ' ' A' ' 22' ' ' PHE . 79.2 t -110.61 116.04 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.17 119.32 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.7 mt -89.31 -176.69 5.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 m -150.41 143.07 24.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.7 t -153.89 145.47 23.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -123.56 150.32 44.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.9 mt -130.75 173.97 10.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.543 ' OG ' ' CE1' ' A' ' 10' ' ' HIS . 5.5 t -105.99 5.87 30.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.422 ' C ' ' HG3' ' A' ' 63' ' ' ARG . 13.4 mtp180 -130.68 117.05 18.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.636 HG13 ' HA2' ' A' ' 62' ' ' GLY . 96.0 t -73.62 136.7 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t0 63.91 52.93 2.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.53 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.2 t80 -113.32 140.59 24.56 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.73 163.09 39.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.87 163.16 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.3 m -141.41 123.27 15.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.485 ' O ' HG22 ' A' ' 50' ' ' VAL . 85.6 m95 -77.83 132.24 37.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -123.98 133.39 53.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -113.75 130.08 56.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 t0 49.95 39.81 19.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.13 22.81 77.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -128.05 155.98 43.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -80.26 127.11 31.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 43' ' ' TRP . 4.9 m -83.54 155.54 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -108.26 140.61 41.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -87.63 113.91 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -151.78 -176.18 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -58.74 -25.76 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.713 ' O ' HD23 ' A' ' 69' ' ' LEU . 75.6 mt -88.77 -13.33 39.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 67' ' ' LEU . 1.3 tt -133.46 105.05 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 t -102.13 135.67 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.9 t -125.82 108.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -99.18 135.35 40.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.6 ttt -116.14 153.11 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -164.2 156.68 17.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.636 ' HA2' HG13 ' A' ' 37' ' ' VAL . . . -39.84 106.03 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.465 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.422 ' HG3' ' C ' ' A' ' 36' ' ' ARG . 50.6 mtt180 53.85 42.68 31.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.893 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -154.5 122.58 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -137.03 115.06 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -129.59 148.94 51.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 68' ' ' ILE . 3.5 tt -111.35 122.19 47.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.561 ' N ' HD23 ' A' ' 67' ' ' LEU . 22.1 mt -100.78 152.11 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.713 HD23 ' O ' ' A' ' 55' ' ' LEU . 10.7 mt -140.04 119.55 8.88 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.601 0.715 . . . . 0.0 110.912 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -37.37 9.21 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -134.02 112.8 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -86.19 94.27 9.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -88.24 152.47 21.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.2 t -49.11 -29.69 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -69.12 -34.89 75.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.61 -10.45 56.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 m -68.9 104.96 2.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.08 -159.82 20.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.454 ' OE2' ' N ' ' A' ' 91' ' ' PHE . 32.6 tp10 -107.85 134.45 50.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.457 ' CE2' HD13 ' A' ' 67' ' ' LEU . 22.7 m-85 -106.28 153.79 21.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -150.23 131.55 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 52.9 t -99.76 76.1 1.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -57.95 133.82 55.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 87' ' ' VAL . 13.2 t -152.13 166.78 30.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 7.1 tp10 -69.47 77.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 156.74 -68.51 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.737 ' O ' HG22 ' A' ' 84' ' ' THR . 36.0 m -140.88 -177.71 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.21 146.13 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.49 165.83 10.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -136.33 122.11 19.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.457 ' HA ' HG22 ' A' ' 18' ' ' VAL . 77.6 m-85 -123.52 117.16 24.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.4 ' N ' ' NZ ' ' A' ' 17' ' ' LYS . . . -89.04 104.59 3.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 98.1 t -103.14 142.77 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.404 HG22 ' HG3' ' A' ' 96' ' ' GLN . 18.1 m -139.95 120.2 13.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.489 HG11 ' O ' ' A' ' 72' ' ' ALA . 11.7 t -105.29 101.78 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.419 ' NE2' HG21 ' A' ' 21' ' ' THR . 38.6 mt-30 -97.01 118.49 33.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -56.22 133.37 75.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 -179.945 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.802 0.251 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.878 HG11 ' CE2' ' A' ' 39' ' ' PHE . 5.9 p -133.86 113.11 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -113.49 142.31 46.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.67 ' H ' HG21 ' A' ' 87' ' ' VAL . 53.2 mt -79.94 138.45 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.43 HD12 ' CD ' ' A' ' 33' ' ' GLU . 1.2 mt -98.84 -31.6 11.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 3.4 m -159.97 144.15 10.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.709 0.766 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.0 Cg_endo -69.72 171.88 51.46 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.346 -0.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -89.62 -29.14 19.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -148.93 165.27 32.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.18 129.1 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.6 m -110.58 153.8 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -118.85 136.14 54.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mt -138.05 157.2 46.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -143.5 137.21 28.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.413 ' CG ' HG22 ' A' ' 28' ' ' VAL . 63.0 m-85 -143.21 179.24 7.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.437 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 52.9 m -115.74 141.9 47.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.0 m -47.33 139.68 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.6 t 72.67 44.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -134.46 174.12 10.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -98.5 121.42 40.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.413 HG22 ' CG ' ' A' ' 22' ' ' PHE . 78.3 t -118.51 116.0 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -125.93 117.36 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.441 HD22 ' HB3' ' A' ' 91' ' ' PHE . 34.6 mt -84.22 -174.74 5.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 m -154.87 145.8 22.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.2 t -158.09 151.42 23.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.43 ' CD ' HD12 ' A' ' 12' ' ' LEU . 73.1 tt0 -128.35 146.17 50.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.2 mt -124.08 -176.04 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 p -113.98 2.75 15.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.433 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 30.1 mtp180 -134.18 129.68 36.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.793 HG13 ' HA2' ' A' ' 62' ' ' GLY . 7.6 t -77.32 143.31 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 56.17 45.05 24.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.878 ' CE2' HG11 ' A' ' 9' ' ' VAL . 7.2 t80 -98.65 139.96 21.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.685 0.755 . . . . 0.0 110.844 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.81 143.37 50.38 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.42 154.42 22.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.5 m -133.72 134.24 42.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -88.91 143.23 27.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.546 ' CD2' ' HA ' ' A' ' 49' ' ' LYS . 92.0 m-85 -136.03 145.66 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -127.29 128.49 46.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 t70 54.93 30.97 14.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.32 21.98 71.7 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.507 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -125.99 152.33 45.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.546 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 25.3 ttmt -75.39 127.97 34.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.3 m -79.06 167.66 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -124.1 140.1 53.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -88.18 117.53 27.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.7 p -156.95 -175.17 5.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -59.17 -32.8 70.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.6 mt -82.38 -15.23 53.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.61 HD21 HD11 ' A' ' 67' ' ' LEU . 1.2 tt -133.41 106.59 7.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.9 t -105.17 128.77 58.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.57 106.18 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -99.24 131.63 45.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.552 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 3.4 ttt -113.22 166.44 11.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 60' ' ' MET . 3.1 t0 -174.63 167.22 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.793 ' HA2' HG13 ' A' ' 37' ' ' VAL . . . -45.32 109.29 0.29 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.433 ' HG2' ' C ' ' A' ' 36' ' ' ARG . 51.6 mtt180 44.74 33.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -148.26 119.22 7.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -134.27 140.65 46.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -148.37 149.4 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.61 HD11 HD21 ' A' ' 56' ' ' LEU . 2.1 tt -109.33 119.92 40.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 69' ' ' LEU . 11.4 mt -98.47 151.86 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 51.0 mt -140.8 119.25 8.19 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.617 0.722 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -37.92 8.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.239 . . . . 0.0 112.322 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -134.95 103.84 5.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.849 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -74.94 90.38 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -80.33 156.89 26.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.64 -20.69 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -80.35 -26.4 38.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.94 -12.17 60.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.5 p -69.57 129.26 39.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.51 -152.9 23.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.452 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -110.2 131.63 54.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -107.8 148.15 29.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -141.88 135.27 29.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.9 t -99.8 91.06 4.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.7 ttp85 -65.48 119.94 11.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 87' ' ' VAL . 0.6 OUTLIER -136.6 164.22 28.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.472 ' O ' HG12 ' A' ' 9' ' ' VAL . 12.9 mt-10 -75.85 60.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 177.4 -64.95 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.67 HG21 ' H ' ' A' ' 11' ' ' ILE . 2.1 m -139.75 179.16 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.85 142.03 44.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.36 170.76 7.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -142.01 128.04 19.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.441 ' HB3' HD22 ' A' ' 30' ' ' LEU . 87.3 m-85 -129.12 116.74 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -84.18 125.91 7.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 70.0 t -129.33 124.29 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 98.0 m -126.37 100.29 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.849 HG11 ' O ' ' A' ' 72' ' ' ALA . 11.3 t -88.63 98.9 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -91.07 128.54 36.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.75 133.42 73.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.437 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.855 0.273 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.6 p -163.53 118.78 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.433 ' HD2' HD23 ' A' ' 12' ' ' LEU . 24.0 p-80 -106.75 163.47 12.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.586 HD13 ' CD2' ' A' ' 34' ' ' LEU . 3.1 mm -88.02 147.15 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.433 HD23 ' HD2' ' A' ' 10' ' ' HIS . 6.6 mt -115.97 -32.64 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 36.1 t -157.5 127.1 3.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.8 Cg_endo -69.82 -173.84 8.95 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.317 0.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -99.91 -37.62 8.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.04 -70.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -155.95 142.31 18.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 14' ' ' PRO . 17.7 m -113.38 155.87 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -122.84 129.39 51.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mt -143.55 144.43 31.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -126.86 137.6 53.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -140.28 170.97 14.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.45 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 90.3 m -111.5 142.37 43.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.188 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.7 m -42.52 140.59 1.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.3 m 66.34 48.43 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 23' ' ' THR . 12.1 mm-40 -132.46 178.87 6.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -100.25 122.4 42.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.477 HG23 ' HB2' ' A' ' 72' ' ' ALA . 67.1 t -119.42 112.85 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.1 p -126.64 119.45 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.41 -174.74 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.5 m -155.55 129.41 8.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.7 t -136.44 138.57 41.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -118.69 145.96 45.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.586 ' CD2' HD13 ' A' ' 11' ' ' ILE . 12.4 mt -127.23 174.31 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 p -106.23 29.5 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 13.2 mtt180 -156.14 112.9 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.763 HG22 ' HG3' ' A' ' 63' ' ' ARG . 12.5 t -71.77 150.68 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 53.41 53.29 11.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.814 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 85' ' ' GLU . 17.0 t80 -117.87 136.39 23.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.79 158.2 57.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.47 179.96 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 43' ' ' TRP . 18.1 m -153.38 157.53 40.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.43 ' N ' HG22 ' A' ' 42' ' ' THR . 58.2 m95 -106.95 151.22 25.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 49' ' ' LYS . 87.2 m-85 -143.88 153.56 42.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' GLN . 11.8 tttt -134.26 131.42 38.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 t70 41.63 37.2 0.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.51 33.5 58.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' LYS . 38.1 mt-30 -135.22 121.65 20.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.926 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 13.8 tttp -59.36 137.28 58.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.608 ' HB ' HD13 ' A' ' 56' ' ' LEU . 11.3 m -95.18 159.7 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -120.75 112.27 18.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -52.2 123.19 10.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.2 p -162.74 -175.4 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.12 -24.58 59.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.79 ' O ' HD23 ' A' ' 69' ' ' LEU . 92.1 mt -90.3 -17.06 28.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.608 HD13 ' HB ' ' A' ' 50' ' ' VAL . 5.7 tt -136.43 105.05 5.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.03 140.12 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.7 t -130.21 118.54 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -106.97 169.74 8.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 29.7 ttp -149.82 106.64 3.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -114.81 76.24 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.433 ' HA2' HG13 ' A' ' 37' ' ' VAL . . . 41.03 94.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.763 ' HG3' HG22 ' A' ' 37' ' ' VAL . 61.0 mtm180 63.68 24.98 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -132.49 100.94 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -110.02 106.94 16.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -122.03 140.45 52.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.482 HD23 ' C ' ' A' ' 67' ' ' LEU . 5.2 tt -107.11 117.65 34.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.47 ' N ' HD23 ' A' ' 67' ' ' LEU . 11.4 mt -97.06 151.92 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.79 HD23 ' O ' ' A' ' 55' ' ' LEU . 15.3 mt -140.89 119.18 8.1 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.604 0.716 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -37.93 8.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -125.71 118.08 24.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.477 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -87.07 90.44 8.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.137 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -84.22 145.56 28.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.9 t -44.43 -35.75 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.54 -36.65 84.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -55.71 -25.33 39.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.3 p -63.89 104.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.82 178.92 47.71 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -80.47 129.25 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.389 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -108.61 134.55 51.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -123.74 147.15 47.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.9 t -125.29 98.26 5.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -83.2 121.68 27.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -112.68 -75.59 0.6 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.483 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 33.6 tp10 -123.16 -71.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.59 -8.37 4.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.5 m -120.69 174.21 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 111.105 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.9 149.34 14.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.99 167.1 10.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.093 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -134.97 142.12 46.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.469 ' HA ' HG22 ' A' ' 18' ' ' VAL . 11.7 m-85 -141.77 123.99 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.83 110.53 3.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 61.6 t -108.67 136.87 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 111.116 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.8 m -132.08 110.85 10.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.0 t -101.75 108.53 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -104.37 123.53 47.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -62.87 134.5 95.63 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.45 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.845 0.269 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 85' ' ' GLU . 5.4 p -159.01 130.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 35' ' ' SER . 27.5 p-80 -132.26 144.36 50.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.408 HD13 ' HB2' ' A' ' 89' ' ' ALA . 32.9 mt -78.16 134.1 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -98.8 -34.74 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 58.0 p -151.62 138.03 11.62 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.9 Cg_endo -69.75 -168.54 4.46 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.32 -0.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -102.85 -22.39 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 17' ' ' LYS . 4.4 p30 -162.54 159.49 24.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 16' ' ' ASP . 8.5 tttt -34.15 128.88 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.443 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 29.1 m -107.87 169.34 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 t -140.0 128.67 23.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mt -136.28 167.93 20.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m -144.38 135.05 24.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -138.74 173.91 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 24' ' ' THR . 25.6 m -108.99 159.67 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.492 ' N ' HG22 ' A' ' 23' ' ' THR . 89.0 m -63.3 134.88 56.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 t 73.67 46.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -126.67 175.5 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -103.16 102.4 12.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.4 t -96.64 132.73 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.641 HG13 HG13 ' A' ' 68' ' ' ILE . 24.7 t -140.75 120.44 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.9 mt -92.86 -175.41 3.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.3 m -159.21 137.61 10.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.9 t -151.11 136.92 18.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -116.18 145.22 43.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -124.68 -176.01 3.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 60.2 p -106.02 -10.2 16.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' CZ ' ' HA ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -119.66 135.64 54.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.43 ' O ' ' CG ' ' A' ' 38' ' ' ASP . 17.5 t -86.71 152.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 2.9 p30 49.55 25.82 1.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.533 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.0 t80 -77.56 140.67 64.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.81 151.2 68.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -173.11 171.65 4.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.6 m -147.46 138.76 23.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.465 ' O ' HG22 ' A' ' 50' ' ' VAL . 81.5 m95 -90.06 129.98 36.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -124.28 147.37 48.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 48' ' ' GLN . 15.7 tttm -128.59 135.46 49.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 t70 39.76 25.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . 86.42 34.91 11.21 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.52 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 45' ' ' LYS . 11.6 pt20 -140.27 133.16 29.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.926 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -67.2 125.8 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 43' ' ' TRP . 26.2 m -73.37 170.66 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -132.6 103.16 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -49.26 113.35 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 t -152.45 -176.56 5.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.0 -32.74 66.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.5 mt -87.83 -1.31 57.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.877 HD21 HD21 ' A' ' 67' ' ' LEU . 3.4 tt -144.32 106.44 4.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 t -104.33 134.31 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.4 HG22 HD22 ' A' ' 67' ' ' LEU . 12.2 t -124.03 115.36 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -99.52 145.83 27.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.0 ttp -134.44 101.86 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -104.67 61.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.35 -94.95 1.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.99 5.05 23.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 0.0 110.905 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -107.71 123.82 49.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -121.94 125.46 46.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -132.45 145.07 50.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.877 HD21 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -109.16 112.39 24.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.641 HG13 HG13 ' A' ' 29' ' ' VAL . 37.3 mt -97.42 151.41 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.402 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 45.6 mt -140.02 118.78 8.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.575 0.703 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -37.53 9.02 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.701 2.268 . . . . 0.0 112.324 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -133.12 101.53 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.08 106.87 17.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -102.14 170.4 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -57.78 -24.54 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -74.9 -30.84 61.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.98 -21.12 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.5 p -59.25 114.96 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.13 -159.79 26.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.431 ' OE2' ' C ' ' A' ' 91' ' ' PHE . 20.5 tp10 -111.9 136.65 50.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -108.52 150.01 28.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -143.73 130.21 20.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.9 t -100.4 74.12 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -58.57 138.95 56.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.769 HG22 ' O ' ' A' ' 87' ' ' VAL . 6.4 t -153.15 168.87 24.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.523 ' O ' HG12 ' A' ' 9' ' ' VAL . 5.4 tt0 -66.19 73.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.79 -73.83 0.22 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.769 ' O ' HG22 ' A' ' 84' ' ' THR . 33.9 m -137.69 -179.63 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 111.115 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.95 158.96 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.408 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -112.26 168.16 9.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -137.61 122.51 18.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.443 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 51.5 m-85 -122.91 114.31 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.34 109.01 3.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.451 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 88.9 t -110.76 146.11 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.2 m -139.05 138.5 37.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.6 t -123.02 99.17 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -95.17 132.74 39.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -75.07 131.59 78.42 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.609 0.719 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.451 ' HD3' HG22 ' A' ' 23' ' ' THR . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.209 0 C-N-CA 122.712 2.274 . . . . 0.0 112.359 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.837 0.266 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 9' ' ' VAL . 11.3 p -104.84 125.08 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.549 ' CE1' ' OG ' ' A' ' 35' ' ' SER . 19.4 p-80 -119.21 133.21 55.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.5 ' CD1' ' C ' ' A' ' 88' ' ' SER . 15.3 mt -72.15 133.9 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.572 HD12 ' HG2' ' A' ' 33' ' ' GLU . 3.2 mt -93.21 -36.86 12.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.562 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 17.5 t -154.06 141.23 13.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.7 Cg_endo -69.73 151.79 91.66 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.341 -0.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -69.41 -33.32 72.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -146.34 176.33 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -50.32 143.77 8.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 28.3 m -120.91 174.19 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.415 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 13.7 t -139.83 131.95 28.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.415 ' HG ' ' C ' ' A' ' 19' ' ' SER . 4.1 mt -146.72 144.17 29.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 m -125.18 152.09 44.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -155.22 175.87 13.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.483 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 23.5 m -113.49 140.71 47.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.7 m -44.69 140.03 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t 74.17 36.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 23' ' ' THR . 5.4 mm-40 -120.29 179.4 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -106.68 121.86 45.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.566 HG23 ' HB2' ' A' ' 72' ' ' ALA . 62.5 t -117.85 126.63 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.82 HG13 HG13 ' A' ' 68' ' ' ILE . 23.3 t -135.14 113.18 15.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.0 mt -85.23 -175.17 5.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.6 m -160.36 136.94 8.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.3 t -146.69 146.19 30.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.572 ' HG2' HD12 ' A' ' 12' ' ' LEU . 23.1 tt0 -121.87 156.26 33.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.8 mt -129.1 170.16 13.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.549 ' OG ' ' CE1' ' A' ' 10' ' ' HIS . 22.9 t -81.28 -33.96 32.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.586 ' HD2' ' CE2' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -120.27 148.64 43.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.498 HG22 ' HA3' ' A' ' 62' ' ' GLY . 0.5 OUTLIER -86.27 172.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.496 ' H ' HG22 ' A' ' 37' ' ' VAL . 4.3 p-10 47.13 48.43 15.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CE2' ' HD2' ' A' ' 36' ' ' ARG . 2.3 t80 -113.72 138.89 22.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.566 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.73 154.7 67.53 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.73 2.287 . . . . 0.0 112.316 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.25 149.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.4 m -131.99 144.31 50.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.441 ' CG ' HD12 ' A' ' 67' ' ' LEU . 82.6 m95 -90.49 139.16 30.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 92.2 m-85 -132.58 140.19 48.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -123.2 126.28 46.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t0 55.99 30.53 16.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.4 23.22 68.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -129.27 148.36 51.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 33.3 ttpt -70.81 130.59 42.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.3 m -82.02 157.21 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -108.99 125.8 52.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -77.38 114.57 16.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -153.63 -175.95 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -58.53 -35.82 72.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.432 ' O ' HD23 ' A' ' 69' ' ' LEU . 47.5 mt -80.89 -7.9 59.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.554 HD21 HD11 ' A' ' 67' ' ' LEU . 1.5 tt -140.91 105.72 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.6 t -102.06 142.05 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.7 t -130.81 104.53 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -99.41 137.48 37.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.5 ttt -135.94 109.32 7.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.27 59.7 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.498 ' HA3' HG22 ' A' ' 37' ' ' VAL . . . 86.86 -91.14 1.71 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 ptt-85 -109.5 3.15 20.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -109.31 104.72 13.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -106.34 129.08 54.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -142.46 139.6 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.554 HD11 HD21 ' A' ' 56' ' ' LEU . 3.3 tt -107.73 119.51 39.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.82 HG13 HG13 ' A' ' 29' ' ' VAL . 14.5 mt -100.61 150.85 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 55' ' ' LEU . 36.9 mt -138.55 119.09 9.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.578 0.704 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -37.41 9.1 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.688 2.259 . . . . 0.0 112.344 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -134.92 92.45 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -70.23 101.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -93.17 163.98 13.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.7 t -55.72 -32.29 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -68.84 -35.96 77.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -63.21 -22.57 66.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.2 p -63.12 128.34 35.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.54 -175.36 38.12 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -84.65 128.45 34.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -109.41 126.94 53.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -121.58 130.52 53.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 27.2 t -107.56 83.61 1.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 84' ' ' THR . 15.2 ttt180 -85.18 146.54 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -130.45 -77.28 0.53 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.514 ' H ' HG23 ' A' ' 84' ' ' THR . 10.4 mm-40 -115.75 -67.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.45 -4.17 5.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.2 m -130.5 165.07 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.123 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.5 ' C ' ' CD1' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -159.5 166.05 31.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.485 ' O ' ' CD1' ' A' ' 90' ' ' PHE . . . -106.97 -179.98 4.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 89' ' ' ALA . 33.0 m-85 -149.62 134.2 17.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.457 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 36.3 m-85 -142.17 122.09 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.94 113.45 4.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 61.9 t -113.42 133.8 58.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.937 0.398 . . . . 0.0 111.093 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.5 m -126.07 108.76 11.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.2 t -99.52 98.85 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -93.12 124.36 37.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -63.11 137.56 97.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.702 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.84 0.267 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.431 HG11 ' CE2' ' A' ' 39' ' ' PHE . 14.8 p -131.97 143.82 39.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -135.05 132.19 37.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.6 mt -67.08 149.36 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.652 HD12 ' HG2' ' A' ' 33' ' ' GLU . 2.9 mt -114.14 -35.24 5.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.515 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 3.2 m -152.66 132.37 7.13 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.819 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.69 -178.55 16.87 Favored 'Cis proline' 0 C--O 1.231 0.144 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.372 -0.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -96.9 -37.03 10.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.25 174.8 10.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -43.33 133.25 4.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.578 HG22 ' HA ' ' A' ' 91' ' ' PHE . 14.5 m -111.87 174.96 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -140.39 127.94 21.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.2 mt -141.24 151.56 43.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -137.92 138.77 39.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CG ' HG22 ' A' ' 28' ' ' VAL . 47.0 m-85 -141.15 170.8 15.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.448 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 59.4 m -106.1 152.95 22.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.8 m -52.14 150.07 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.2 p 56.11 51.69 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -130.47 177.56 7.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.4 ttt-85 -107.65 107.17 17.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.404 HG22 ' CG ' ' A' ' 22' ' ' PHE . 84.4 t -102.05 131.06 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.815 HG22 HG12 ' A' ' 68' ' ' ILE . 51.0 t -136.24 117.67 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.3 mt -86.96 -175.25 5.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.6 m -158.46 134.57 9.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.4 t -149.96 143.08 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.652 ' HG2' HD12 ' A' ' 12' ' ' LEU . 12.0 tt0 -119.45 158.79 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.6 mt -138.32 171.46 14.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.403 ' HB2' HD21 ' A' ' 12' ' ' LEU . 15.1 t -109.56 23.86 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -148.73 111.08 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.443 ' CG2' ' HG3' ' A' ' 63' ' ' ARG . 54.9 t -70.06 146.54 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t70 60.91 39.84 16.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.431 ' CE2' HG11 ' A' ' 9' ' ' VAL . 2.0 t80 -106.92 124.24 36.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.671 0.748 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 168.51 21.38 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.222 . . . . 0.0 112.352 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -171.63 -178.48 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.2 m -146.52 140.74 26.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.566 ' O ' HG22 ' A' ' 50' ' ' VAL . 81.0 m95 -98.08 123.82 42.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.506 ' CE2' ' HB2' ' A' ' 49' ' ' LYS . 71.3 m-85 -115.25 143.76 44.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -131.0 129.24 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 47.64 40.65 12.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.38 35.51 87.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -149.58 116.57 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 29.3 ttpt -51.94 131.52 31.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 43' ' ' TRP . 18.0 m -78.89 169.04 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -131.88 101.04 5.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -40.13 134.27 1.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -162.3 -176.21 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -56.21 -37.43 69.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.549 ' O ' HD23 ' A' ' 69' ' ' LEU . 19.6 mt -90.07 -7.05 54.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -129.52 101.74 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 t -103.15 134.77 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.1 t -128.06 113.72 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -102.04 154.0 19.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.482 ' HG2' ' N ' ' A' ' 61' ' ' ASP . 2.7 ttt -131.85 148.97 52.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.482 ' N ' ' HG2' ' A' ' 60' ' ' MET . 1.3 m-20 -159.73 154.2 23.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -40.23 106.84 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.443 ' HG3' ' CG2' ' A' ' 37' ' ' VAL . 96.8 mtt180 53.92 42.19 31.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -155.58 121.28 5.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -133.57 120.11 20.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 ptt-85 -134.54 153.0 52.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 68' ' ' ILE . 2.7 tt -115.83 139.32 50.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.815 HG12 HG22 ' A' ' 29' ' ' VAL . 20.1 mt -120.65 153.1 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 55' ' ' LEU . 66.5 mt -140.44 118.18 8.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.571 0.701 . . . . 0.0 110.945 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -38.99 7.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -128.51 92.69 3.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.438 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -79.4 90.49 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -83.82 171.94 12.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.6 t -53.32 -38.75 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -63.87 -42.45 97.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.5 -30.22 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.2 p -57.94 135.87 56.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.3 172.84 23.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -78.31 128.28 33.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -107.4 126.94 53.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -119.09 148.59 42.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.5 t -123.09 80.54 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -76.88 108.13 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.88 -75.63 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.401 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 2.7 tp10 -128.43 -49.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.23 -29.17 0.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.5 m -113.4 175.75 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.33 163.48 30.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.21 130.59 56.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -99.42 125.14 45.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.578 ' HA ' HG22 ' A' ' 18' ' ' VAL . 50.4 m-85 -124.57 112.66 17.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.97 109.19 3.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.8 t -109.48 149.5 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 111.154 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.9 m -145.55 116.39 7.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.438 HG11 ' O ' ' A' ' 72' ' ' ALA . 43.7 t -101.59 108.24 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -101.32 133.96 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -75.38 131.42 77.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.448 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.499 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.131 0 CA-C-O 120.857 0.274 . . . . 0.0 112.364 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 85' ' ' GLU . 4.3 p -146.29 131.6 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.522 ' CE1' ' OG ' ' A' ' 35' ' ' SER . 26.0 p-80 -130.63 131.66 45.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.577 ' CD1' HG23 ' A' ' 87' ' ' VAL . 51.4 mt -73.62 129.26 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.459 HD12 ' HG2' ' A' ' 33' ' ' GLU . 5.5 mt -89.26 -27.5 20.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.519 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 19.1 t -162.49 132.19 3.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.678 0.751 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.78 -168.99 4.77 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.364 -0.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -114.97 -34.07 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -134.34 -70.95 0.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -159.87 142.2 13.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 91' ' ' PHE . 29.6 m -116.57 176.11 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.5 t -142.24 135.28 28.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 mt -144.34 155.04 43.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.3 m -136.73 138.91 41.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CG ' HG22 ' A' ' 28' ' ' VAL . 62.4 m-85 -145.84 164.15 32.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.9 m -102.83 150.59 23.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.151 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.5 m -54.87 141.55 32.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.196 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 m 69.63 48.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -140.17 175.02 9.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -97.5 123.71 41.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.618 HG22 ' CG ' ' A' ' 22' ' ' PHE . 67.1 t -125.19 118.27 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.417 ' CG2' ' HE ' ' A' ' 66' ' ' ARG . 1.4 p -130.41 125.47 59.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.566 HD21 ' CG2' ' A' ' 93' ' ' VAL . 65.8 mt -86.39 -170.72 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.404 ' OG1' ' NH2' ' A' ' 66' ' ' ARG . 1.2 m -156.48 130.55 8.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -143.51 133.65 24.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.459 ' HG2' HD12 ' A' ' 12' ' ' LEU . 23.0 tt0 -110.74 154.6 23.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.444 HD12 ' CD2' ' A' ' 65' ' ' HIS . 67.9 mt -135.28 171.17 14.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.522 ' OG ' ' CE1' ' A' ' 10' ' ' HIS . 23.2 t -100.57 -3.26 30.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 8' ' ' PRO . 18.3 mtt180 -121.36 134.46 55.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.424 HG23 ' NE ' ' A' ' 63' ' ' ARG . 19.3 t -89.68 145.99 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t70 53.12 51.45 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.527 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.5 t80 -111.31 140.42 22.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.667 0.746 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.67 159.2 54.38 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.73 2.286 . . . . 0.0 112.367 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -171.26 160.22 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.035 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.42 HG22 ' CE1' ' A' ' 44' ' ' TYR . 82.1 m -137.04 124.21 21.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -78.17 151.31 33.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.518 ' CE2' ' HB2' ' A' ' 49' ' ' LYS . 73.9 m-85 -142.13 157.77 44.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 48' ' ' GLN . 17.7 tttm -133.4 133.61 42.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 41.31 25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . 88.88 31.88 11.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 45' ' ' LYS . 6.5 pt20 -144.4 122.17 11.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.931 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.518 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -47.57 147.82 1.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.4 m -101.29 145.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -102.54 104.54 14.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' HA ' HD22 ' A' ' 56' ' ' LEU . 1.6 mp0 -52.31 125.34 15.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 t -155.33 -176.46 5.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.82 -29.84 60.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.533 ' O ' HD23 ' A' ' 69' ' ' LEU . 48.4 mt -90.9 -7.76 51.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 52' ' ' GLU . 5.8 tt -134.47 103.93 5.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 t -105.38 128.24 59.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.9 t -118.1 117.69 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -99.63 142.4 31.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.518 ' HG3' ' CE1' ' A' ' 65' ' ' HIS . 1.6 ttt -130.46 106.06 8.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.85 103.41 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 41.7 -120.04 1.94 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.424 ' NE ' HG23 ' A' ' 37' ' ' VAL . 75.3 mtt180 -87.98 40.73 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 110.853 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -143.33 124.06 14.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.518 ' CE1' ' HG3' ' A' ' 60' ' ' MET . 25.4 m-70 -138.84 117.11 11.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.455 ' NE ' ' O ' ' A' ' 30' ' ' LEU . 5.2 ptm180 -133.04 170.7 14.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.444 HD21 ' HG ' ' A' ' 56' ' ' LEU . 5.6 tt -126.2 116.38 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.6 mt -96.43 148.46 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.058 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 55' ' ' LEU . 53.9 mt -136.51 119.24 11.9 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.64 0.733 . . . . 0.0 110.95 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -36.48 10.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.739 2.293 . . . . 0.0 112.336 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -132.28 111.59 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.79 97.32 9.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -90.83 154.29 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.4 t -55.28 -17.7 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -83.39 -22.91 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.66 -14.15 59.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.407 ' CB ' ' H ' ' A' ' 95' ' ' VAL . 43.7 p -68.12 102.21 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.63 -157.51 12.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -111.6 129.45 56.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.886 0.375 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -106.34 148.93 27.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -141.08 132.71 27.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.1 t -102.54 79.39 1.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -61.54 142.35 57.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.795 HG22 ' O ' ' A' ' 87' ' ' VAL . 13.5 t -156.36 165.12 37.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.481 ' O ' HG12 ' A' ' 9' ' ' VAL . 4.6 tp10 -62.64 76.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 84' ' ' THR . . . 153.71 -72.69 0.26 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.795 ' O ' HG22 ' A' ' 84' ' ' THR . 20.1 m -138.14 -179.06 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.39 149.73 38.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.511 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -102.39 165.97 10.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -133.75 134.03 42.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.494 ' HA ' HG22 ' A' ' 18' ' ' VAL . 83.5 m-85 -133.37 137.56 45.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -109.39 111.8 3.27 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.566 ' CG2' HD21 ' A' ' 30' ' ' LEU . 62.9 t -116.36 130.74 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 111.17 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 54.8 m -127.01 119.67 27.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.407 ' H ' ' CB ' ' A' ' 77' ' ' SER . 13.9 t -103.7 104.2 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -98.66 114.26 26.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -58.3 137.64 84.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.868 0.279 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.44 ' CG1' ' HB3' ' A' ' 85' ' ' GLU . 7.7 p -160.38 126.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -119.89 160.26 23.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.8 mt -85.16 143.21 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.115 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.485 HD12 ' OE1' ' A' ' 33' ' ' GLU . 7.8 mt -110.13 -33.16 6.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.529 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 60.2 p -147.43 131.94 8.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.658 0.742 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.4 Cg_endo -69.8 -171.47 6.69 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.36 -0.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -103.9 -34.91 8.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' LYS . 33.5 m-20 -146.27 161.98 39.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' ASP . 28.9 tttt -34.58 129.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 91' ' ' PHE . 16.5 m -107.83 170.98 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.0 p -145.79 113.43 6.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mt -125.7 149.81 48.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.0 m -130.14 144.69 51.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CG ' HG22 ' A' ' 28' ' ' VAL . 95.5 m-85 -146.77 169.23 19.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.442 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 41.9 m -105.02 153.54 21.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 23' ' ' THR . 92.8 m -54.68 147.84 13.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 p 61.01 47.99 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.811 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -132.46 169.19 16.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -98.28 116.92 31.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.404 HG22 ' CG ' ' A' ' 22' ' ' PHE . 92.9 t -114.24 128.6 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.827 HG13 HG13 ' A' ' 68' ' ' ILE . 24.2 t -135.19 119.26 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.7 mt -85.41 -175.07 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.9 m -156.87 137.22 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 49.6 t -152.63 146.34 25.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.485 ' OE1' HD12 ' A' ' 12' ' ' LEU . 39.0 tt0 -122.21 156.61 33.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.458 HD21 HG21 ' A' ' 84' ' ' THR . 64.5 mt -133.92 173.73 11.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.478 ' OG ' HD21 ' A' ' 12' ' ' LEU . 1.8 m -105.96 24.84 11.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.462 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 25.9 mtp85 -152.61 132.61 13.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.9 t -82.59 150.35 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 46.59 46.32 14.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.517 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 18.8 t80 -100.2 139.22 20.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.81 146.14 58.98 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.334 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.96 164.31 20.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.8 m -147.74 143.92 27.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.439 ' HB2' HG21 ' A' ' 50' ' ' VAL . 60.5 m95 -92.97 153.91 18.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.56 ' CD2' ' HA ' ' A' ' 49' ' ' LYS . 87.4 m-85 -144.94 134.88 23.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.96 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -116.14 127.7 55.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.4 t0 52.03 41.05 29.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.61 39.59 98.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' LYS . 31.5 mt-30 -149.02 119.67 7.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 22.7 tttp -37.28 143.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 43' ' ' TRP . 33.2 m -87.84 146.96 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -96.22 100.86 12.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -58.76 114.59 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.8 p -161.16 176.61 11.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.52 -39.2 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.484 ' O ' HD23 ' A' ' 69' ' ' LEU . 87.6 mt -69.35 -22.9 63.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.47 ' HG ' HD21 ' A' ' 67' ' ' LEU . 8.5 tt -129.07 106.27 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.7 t -102.01 125.8 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.4 t -112.74 120.08 61.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.435 ' HA ' ' NZ ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -100.48 150.14 22.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.7 ttp -139.47 109.25 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.86 100.83 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 43.79 -113.3 0.72 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.463 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -97.5 45.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -150.94 118.64 6.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -125.48 109.61 12.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -120.93 152.38 38.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.47 HD21 ' HG ' ' A' ' 56' ' ' LEU . 4.8 tt -114.8 123.3 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.827 HG13 HG13 ' A' ' 29' ' ' VAL . 12.5 mt -102.8 153.17 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 55' ' ' LEU . 37.8 mt -139.49 118.97 9.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.631 0.729 . . . . 0.0 110.97 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -37.36 9.35 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.355 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -128.33 112.24 14.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.402 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -82.7 79.09 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.5 ptmm? -82.06 147.55 29.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.3 t -44.73 -27.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -74.17 -37.44 63.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 73' ' ' LYS . 33.7 m-20 -52.45 -31.98 37.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.9 p -57.59 141.69 47.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.74 173.35 20.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -77.3 125.56 29.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -107.4 125.5 51.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -113.31 131.25 56.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.8 t -109.71 85.81 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -77.57 128.49 34.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.458 HG21 HD21 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -115.91 -74.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.487 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 3.9 tp10 -120.43 -60.1 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -131.51 -25.89 0.76 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.7 m -113.43 177.79 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.136 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.48 159.08 27.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -106.18 137.41 44.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -107.56 120.56 42.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.521 ' HA ' HG22 ' A' ' 18' ' ' VAL . 72.1 m-85 -115.06 113.7 24.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.38 101.17 2.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 98.4 t -100.51 147.04 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 93.3 m -140.5 114.07 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.402 HG11 ' O ' ' A' ' 72' ' ' ALA . 39.4 t -102.12 116.72 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -110.04 137.56 47.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -77.81 134.97 64.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.709 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.442 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.238 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.799 0.25 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.417 HG11 ' CE2' ' A' ' 39' ' ' PHE . 8.4 p -145.77 146.31 19.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -147.9 128.04 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.513 ' CD1' ' C ' ' A' ' 88' ' ' SER . 20.3 mt -63.52 142.87 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.566 HD21 ' OG ' ' A' ' 35' ' ' SER . 7.0 mt -107.63 -34.54 6.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 46.4 t -153.53 134.74 8.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.895 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.2 Cg_endo -69.76 167.71 70.08 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.34 -0.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -85.64 -34.8 21.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.17 174.34 12.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.5 tptt -45.57 130.96 8.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 16.2 m -109.55 178.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.9 p -143.32 119.14 10.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mt -137.08 149.86 47.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -134.89 146.83 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -142.86 175.62 9.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 55.8 m -111.28 142.47 43.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.4 m -46.24 147.22 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.9 m 61.95 50.18 4.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 23' ' ' THR . 28.7 mm-40 -136.92 167.49 21.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -94.1 120.24 34.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.479 HG23 ' HB2' ' A' ' 72' ' ' ALA . 98.3 t -114.77 117.31 55.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -129.57 107.64 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.7 mt -79.53 -175.92 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.1 m -151.88 139.05 19.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.0 t -146.07 146.08 30.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -124.56 153.12 42.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.6 mt -135.8 -178.64 5.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.566 ' OG ' HD21 ' A' ' 12' ' ' LEU . 1.7 m -109.25 -4.01 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -117.3 134.56 54.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.5 t -83.58 141.92 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t0 53.66 28.44 8.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.437 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 3.1 t80 -77.97 134.57 63.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.437 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.79 142.7 48.5 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.06 173.38 17.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.7 m -154.49 137.69 15.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -84.51 156.93 21.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.558 ' HA ' HG13 ' A' ' 50' ' ' VAL . 93.2 m-85 -150.99 154.88 37.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' GLN . 19.2 tttt -130.48 144.32 51.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 40.18 24.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . 83.99 35.63 15.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 45' ' ' LYS . 7.5 pt20 -142.11 161.57 37.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.908 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.496 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 30.5 tttt -75.15 127.94 34.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.558 HG13 ' HA ' ' A' ' 44' ' ' TYR . 17.6 m -79.04 137.75 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -77.81 126.8 31.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -88.39 112.82 23.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 t -158.74 -174.96 5.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -55.02 -37.93 67.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.718 ' O ' HD23 ' A' ' 69' ' ' LEU . 87.3 mt -74.15 -18.59 60.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 tt -132.19 103.8 6.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.4 t -102.06 129.67 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.9 t -119.71 111.24 32.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -99.67 145.63 27.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 ttt -136.7 113.23 10.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -127.92 120.82 28.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 39.61 -114.01 0.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.463 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.67 43.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.384 . . . . 0.0 110.857 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -146.79 116.79 7.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -116.08 138.94 50.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 ptt-85 -148.18 141.82 25.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.569 HD23 ' N ' ' A' ' 68' ' ' ILE . 3.9 tt -106.03 122.07 45.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.569 ' N ' HD23 ' A' ' 67' ' ' LEU . 18.2 mt -100.42 148.67 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 55' ' ' LEU . 10.6 mt -137.05 119.53 11.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.902 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -36.18 11.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -140.92 105.73 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.479 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -78.01 97.07 5.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -85.58 160.95 19.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.7 t -55.28 -27.45 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -71.6 -38.49 70.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.12 -10.23 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -69.13 102.07 1.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.09 -171.06 39.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -92.68 137.04 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -114.32 139.42 49.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 89' ' ' ALA . 5.1 tt0 -129.53 144.13 51.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.4 t -117.89 82.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 84' ' ' THR . 19.1 ttt180 -83.96 146.55 27.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.59 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -131.83 -75.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.59 ' H ' HG23 ' A' ' 84' ' ' THR . 7.3 mt-10 -116.9 -66.48 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.59 -11.93 2.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.4 m -121.43 161.23 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.513 ' C ' ' CD1' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -153.09 167.89 27.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 81' ' ' GLU . . . -107.16 179.41 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.144 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -150.51 133.98 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.466 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 68.0 m-85 -140.93 130.7 24.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.01 90.95 1.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.4 t -93.87 133.47 34.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 111.148 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.1 m -136.99 124.21 21.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.3 t -105.58 129.3 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -124.83 113.96 18.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -60.63 133.82 91.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.623 0.725 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.426 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m 55.37 44.85 26.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 110.893 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -106.35 171.58 7.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.97 50.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 p -114.8 147.62 39.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.9 0.381 . . . . 0.0 110.841 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -88.97 -57.79 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.36 146.86 23.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -50.16 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.726 2.284 . . . . 0.0 112.344 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 p -154.87 128.28 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.446 ' HD2' HD23 ' A' ' 12' ' ' LEU . 6.1 p-80 -126.88 139.45 53.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.696 ' CD1' HG23 ' A' ' 87' ' ' VAL . 56.6 mt -69.98 144.22 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.512 HD12 ' HG2' ' A' ' 33' ' ' GLU . 6.5 mt -106.65 -34.17 7.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.543 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 1.8 m -156.2 140.62 11.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.69 0.757 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.4 Cg_endo -69.8 176.04 34.29 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.352 -0.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -92.88 -33.84 14.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.89 178.58 7.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' HE3' ' CD ' ' A' ' 79' ' ' GLU . 14.7 tptm -53.73 131.51 39.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 91' ' ' PHE . 17.9 m -111.99 168.89 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 t -139.41 130.81 26.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mt -137.59 150.58 47.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.9 m -137.99 131.71 31.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.631 ' CG ' HG22 ' A' ' 28' ' ' VAL . 77.4 m-85 -132.12 171.41 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.456 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 55.7 m -110.73 142.79 42.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 84.4 m -47.29 147.69 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 p 65.45 40.22 4.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 23' ' ' THR . 44.6 mm-40 -133.52 174.13 10.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -99.44 127.91 45.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.631 HG22 ' CG ' ' A' ' 22' ' ' PHE . 93.3 t -122.29 114.2 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.45 117.44 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.2 mt -85.42 -174.91 5.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.2 m -153.32 140.28 19.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.5 t -157.48 138.83 13.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.512 ' HG2' HD12 ' A' ' 12' ' ' LEU . 32.5 tt0 -116.56 154.97 29.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.9 mt -132.12 176.42 8.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.2 p -109.54 16.75 22.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.474 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 27.0 mtp85 -143.54 126.12 15.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.489 HG13 ' HA2' ' A' ' 62' ' ' GLY . 88.3 t -82.12 144.31 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 57.66 45.44 19.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.531 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.4 t80 -106.27 140.55 21.39 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.79 162.17 43.1 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.74 155.76 2.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.8 m -131.72 125.06 31.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CG ' HD23 ' A' ' 67' ' ' LEU . 83.2 m95 -79.19 140.76 37.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -131.82 134.79 46.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -117.02 128.41 55.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 t70 49.86 31.97 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.38 28.82 59.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -145.39 129.59 17.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.917 0.389 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' C ' ' HD2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -42.59 149.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.6 m -92.36 138.92 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -88.69 89.73 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HA ' HD23 ' A' ' 56' ' ' LEU . 4.8 mt-10 -54.12 130.05 36.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -171.26 -175.06 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -56.13 -29.54 60.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.434 ' O ' HD23 ' A' ' 69' ' ' LEU . 96.0 mt -85.76 -7.03 59.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.914 HD12 HD21 ' A' ' 69' ' ' LEU . 5.0 tp -134.56 108.98 8.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.654 HG12 ' HD3' ' A' ' 59' ' ' LYS . 6.3 t -104.18 125.64 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.575 HG22 ' CD2' ' A' ' 67' ' ' LEU . 63.7 t -113.84 108.66 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.654 ' HD3' HG12 ' A' ' 57' ' ' VAL . 4.9 mmmm -99.09 135.2 40.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.8 ttt -122.06 142.3 50.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -150.43 154.88 38.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.489 ' HA2' HG13 ' A' ' 37' ' ' VAL . . . -40.8 105.27 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.425 ' HG3' ' CG2' ' A' ' 37' ' ' VAL . 97.4 mtt180 56.02 41.81 29.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -158.6 117.45 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -130.02 134.91 47.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -145.17 151.64 38.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.575 ' CD2' HG22 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -110.9 119.4 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.584 HD12 ' CG ' ' A' ' 59' ' ' LYS . 9.3 mt -103.71 149.49 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.914 HD21 HD12 ' A' ' 56' ' ' LEU . 36.0 mt -140.73 119.33 8.27 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.599 0.714 . . . . 0.0 110.933 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -36.56 10.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.728 2.285 . . . . 0.0 112.344 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -133.92 97.05 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.521 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -74.01 91.92 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -83.26 155.72 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.4 t -47.29 -24.54 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -77.36 -37.31 52.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -58.16 -16.39 13.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.2 p -67.04 126.32 28.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 165.05 -168.34 39.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.473 ' OE2' ' N ' ' A' ' 91' ' ' PHE . 45.7 tp10 -99.51 130.63 45.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.371 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -106.31 150.77 25.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.484 ' CG ' ' HB3' ' A' ' 88' ' ' SER . 8.1 tt0 -150.56 129.85 12.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 40.6 t -93.66 73.36 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -50.12 138.99 15.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.812 HG22 ' O ' ' A' ' 87' ' ' VAL . 12.8 t -154.9 171.06 20.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.31 70.66 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 164.82 -67.12 0.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.812 ' O ' HG22 ' A' ' 84' ' ' THR . 34.2 m -144.43 177.64 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.484 ' HB3' ' CG ' ' A' ' 81' ' ' GLU . 0.7 OUTLIER -137.2 152.94 50.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.8 163.66 12.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.079 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -130.31 120.23 24.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.476 ' HA ' HG22 ' A' ' 18' ' ' VAL . 86.8 m-85 -125.61 113.83 17.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.13 123.94 6.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -125.68 140.51 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 111.11 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.2 m -141.22 114.24 8.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.521 HG11 ' O ' ' A' ' 72' ' ' ALA . 22.0 t -97.3 100.67 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -97.66 123.67 41.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -72.59 137.34 80.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.456 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.9 Cg_endo -69.78 137.82 36.28 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.318 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 55.1 m -52.93 114.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -121.25 131.77 8.78 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 84.87 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.707 2.271 . . . . 0.0 112.31 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.3 t 37.45 42.78 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 98.5 p -100.43 133.01 45.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.542 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -78.37 -49.57 13.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.875 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 p -69.55 94.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.34 -65.49 1.16 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.5 p -129.9 138.13 50.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 m -94.81 118.8 32.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.43 106.69 0.46 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -48.34 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.47 HG11 ' CE2' ' A' ' 39' ' ' PHE . 6.9 p -160.77 120.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -112.52 135.03 53.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.524 HD12 HG23 ' A' ' 87' ' ' VAL . 33.2 mt -72.18 138.93 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.741 HD12 ' HG2' ' A' ' 33' ' ' GLU . 2.1 mt -99.4 -33.2 10.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.549 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 43.4 t -157.03 142.77 12.74 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.733 . . . . 0.0 110.9 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.82 168.25 68.33 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.317 0.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -85.21 -25.36 27.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -155.8 -177.06 6.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -55.68 131.89 47.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.454 HG22 ' HA ' ' A' ' 91' ' ' PHE . 29.5 m -110.49 167.93 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.7 p -135.69 126.13 26.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mt -134.38 158.9 42.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.1 m -141.5 145.63 35.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -151.31 173.38 14.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.491 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 85.6 m -111.79 144.61 40.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.143 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -45.13 142.62 1.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.0 m 63.22 48.69 3.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 23' ' ' THR . 33.0 mm-40 -127.59 177.46 6.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 ttt85 -106.44 118.11 35.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.4 t -115.33 136.24 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.703 HG22 HG12 ' A' ' 68' ' ' ILE . 34.5 t -141.06 111.99 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.0 mt -85.67 -175.63 5.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.6 m -156.63 143.55 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.2 t -156.08 139.99 16.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.741 ' HG2' HD12 ' A' ' 12' ' ' LEU . 20.4 tt0 -116.22 151.02 36.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.1 mt -128.53 172.76 10.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.7 t -95.87 -10.14 29.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -121.69 138.01 54.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.61 HG22 ' HG2' ' A' ' 63' ' ' ARG . 61.3 t -84.3 141.15 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 54.75 46.34 24.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 3.2 t80 -96.73 140.57 22.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.707 0.765 . . . . 0.0 110.827 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.559 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.8 147.76 63.33 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.642 2.228 . . . . 0.0 112.328 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.52 -177.6 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.0 m -155.99 142.67 18.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -96.64 135.54 38.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.485 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 87.9 m-85 -128.7 145.67 51.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -128.81 128.22 43.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 t0 53.52 26.47 5.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.47 28.3 55.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.462 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -139.34 126.6 21.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.485 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 40.7 tttm -47.37 128.29 11.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.4 m -74.79 146.17 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.173 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -100.7 108.97 20.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HA ' HD23 ' A' ' 56' ' ' LEU . 10.6 mt-10 -67.66 129.03 38.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.0 p -160.96 -175.6 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -58.42 -18.01 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.9 mt -97.05 -9.03 28.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.859 HD12 HD21 ' A' ' 69' ' ' LEU . 5.2 tp -129.92 109.82 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 t -106.2 126.14 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.0 t -118.99 121.6 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -105.72 134.54 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.5 ttt -126.35 107.17 10.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.07 111.01 12.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.46 ' CA ' HG13 ' A' ' 37' ' ' VAL . . . 47.82 -131.18 17.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.61 ' HG2' HG22 ' A' ' 37' ' ' VAL . 6.2 ptt-85 -91.13 41.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.923 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -139.58 114.63 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -117.92 122.82 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -137.68 148.44 45.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.716 HD23 ' N ' ' A' ' 68' ' ' ILE . 3.3 tt -113.6 135.17 54.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.716 ' N ' HD23 ' A' ' 67' ' ' LEU . 15.7 mt -117.27 153.88 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.859 HD21 HD12 ' A' ' 56' ' ' LEU . 72.9 mt -140.73 118.57 8.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.531 0.681 . . . . 0.0 110.955 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -38.98 6.92 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -134.44 88.15 2.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.19 106.37 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -92.09 -176.35 4.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.6 t -75.55 -32.41 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -72.96 -20.13 61.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.36 -13.01 59.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.4 p -69.36 119.93 14.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.59 -179.34 43.39 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.32 132.29 34.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -106.39 147.68 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -140.72 132.29 27.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 47.6 t -105.21 78.25 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -59.24 144.01 47.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.874 HG22 ' O ' ' A' ' 87' ' ' VAL . 13.7 t -153.09 175.72 12.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -74.67 61.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.58 -68.33 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.874 ' O ' HG22 ' A' ' 84' ' ' THR . 18.3 m -139.94 -178.52 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.88 160.18 40.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.16 175.62 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.083 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -147.77 120.25 8.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.454 ' HA ' HG22 ' A' ' 18' ' ' VAL . 75.6 m-85 -127.76 124.99 39.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.33 126.14 8.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.5 t -127.42 133.99 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 111.173 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.489 HG22 ' HG3' ' A' ' 96' ' ' GLN . 54.3 m -132.83 104.9 6.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.8 t -90.97 97.01 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.489 ' HG3' HG22 ' A' ' 94' ' ' THR . 13.5 mt-30 -91.53 123.61 35.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -65.27 141.18 98.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.568 0.699 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.444 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 54.1 Cg_endo -69.77 164.79 33.23 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.688 2.259 . . . . 0.0 112.354 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 98' ' ' PRO . 74.3 m 34.61 50.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.803 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -68.1 145.83 45.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -48.53 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.34 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.4 m -67.44 171.0 6.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m -153.82 106.94 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -119.06 122.49 42.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -97.55 156.27 16.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.9 -60.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 p -131.32 83.98 2.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 m -48.32 -46.11 36.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.63 157.84 2.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.434 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 9' ' ' VAL . 14.8 p -172.16 124.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -130.07 128.29 41.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.2 mt -48.07 147.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.491 HD12 ' HG2' ' A' ' 33' ' ' GLU . 5.0 mt -114.65 -34.83 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.501 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 66.1 m -153.07 127.65 4.65 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.654 0.74 . . . . 0.0 110.844 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.7 Cg_endo -69.75 -175.72 11.39 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.338 -0.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -97.42 -37.26 10.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -142.68 172.79 12.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.4 131.92 13.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.445 HG22 ' HA ' ' A' ' 91' ' ' PHE . 31.7 m -112.39 168.94 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -136.56 131.94 34.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mt -142.87 169.05 18.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m -143.15 144.34 32.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CD2' HG22 ' A' ' 28' ' ' VAL . 39.8 m-85 -139.25 173.18 11.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.482 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 59.5 m -112.98 143.9 43.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.0 m -46.88 146.13 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.4 p 62.07 48.16 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 23' ' ' THR . 7.9 mm-40 -133.21 176.28 8.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -102.55 116.7 33.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.484 HG22 ' CD2' ' A' ' 22' ' ' PHE . 82.7 t -110.69 115.14 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 p -130.87 120.44 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.18 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.6 mt -92.65 -174.99 3.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.5 m -155.21 135.67 13.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.7 t -142.62 144.68 32.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.491 ' HG2' HD12 ' A' ' 12' ' ' LEU . 38.8 tt0 -119.8 150.26 40.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.659 HD21 HG21 ' A' ' 84' ' ' THR . 40.3 mt -131.25 171.95 12.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.1 t -110.13 31.18 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -160.44 115.33 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.654 HG22 ' HG2' ' A' ' 63' ' ' ARG . 94.3 t -72.3 143.57 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.43 42.42 8.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.531 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 9.7 t80 -103.75 139.88 20.53 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.64 0.733 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.79 151.78 68.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 2.24 . . . . 0.0 112.327 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.71 170.3 17.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.4 m -151.3 142.33 23.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -95.38 134.23 38.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -129.04 130.56 46.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -117.91 127.42 53.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.5 t0 51.02 38.25 20.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.72 36.63 91.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -148.69 122.9 9.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -45.48 144.8 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 m -95.2 149.72 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 mp0 -100.27 135.48 41.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -85.79 118.36 25.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.2 p -160.08 175.26 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -51.21 -33.32 27.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.8 mt -77.83 -21.1 51.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.41 HD21 HD11 ' A' ' 67' ' ' LEU . 2.7 tt -127.05 107.54 10.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.7 t -102.0 131.97 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.1 t -126.13 119.92 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -100.85 156.13 17.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.7 ttp -143.49 115.07 8.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -132.09 105.45 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.611 ' CA ' HG13 ' A' ' 37' ' ' VAL . . . 43.39 -101.18 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.654 ' HG2' HG22 ' A' ' 37' ' ' VAL . 7.4 ptt180 -113.71 38.48 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -138.75 109.41 6.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -113.42 138.05 50.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -150.91 147.94 27.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.41 HD11 HD21 ' A' ' 56' ' ' LEU . 4.6 tt -111.29 122.08 46.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.5 mt -103.4 147.82 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.0 mt -134.81 119.69 13.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.728 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -36.87 10.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.7 2.267 . . . . 0.0 112.348 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -132.92 115.54 15.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.409 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -86.16 98.84 11.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.058 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -91.76 149.05 21.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.0 t -48.42 -32.85 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -65.76 -39.24 90.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -62.15 -8.84 6.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.8 m -66.66 99.19 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.95 -177.28 42.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -85.97 136.1 33.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.895 0.379 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -109.33 124.34 50.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -110.78 144.42 39.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.8 t -127.13 96.21 4.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -85.67 145.49 27.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.659 HG21 HD21 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -132.32 -75.49 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.542 ' H ' HG23 ' A' ' 84' ' ' THR . 16.1 tm-20 -116.54 -68.87 0.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.99 -20.51 2.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.6 m -116.15 176.47 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 0.0 111.1 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -157.56 153.0 26.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.69 136.56 41.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -108.51 124.27 50.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.445 ' HA ' HG22 ' A' ' 18' ' ' VAL . 42.9 m-85 -120.27 115.1 22.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.91 118.08 5.56 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.2 t -121.84 124.73 72.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 53.2 m -135.99 112.95 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 73.1 t -96.64 116.76 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -109.38 127.37 54.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -68.86 134.55 90.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.431 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.9 Cg_endo -69.75 159.93 51.57 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.7 t -88.86 98.01 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.828 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 179.98 -158.23 21.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 148.3 64.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 p -125.18 133.52 52.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 73.1 p -70.85 139.35 50.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p -51.89 152.8 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.834 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 p -168.04 142.64 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.83 166.24 15.01 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -39.17 119.55 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.834 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -111.75 138.06 48.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.835 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.64 84.85 0.32 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.47 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.86 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.619 2.213 . . . . 0.0 112.346 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 85' ' ' GLU . 9.5 p -155.15 127.28 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.471 ' CD2' ' HB2' ' A' ' 35' ' ' SER . 2.2 p-80 -124.16 161.76 25.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.63 HD13 ' HB2' ' A' ' 89' ' ' ALA . 75.0 mt -88.71 139.77 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.46 HD12 ' HG2' ' A' ' 33' ' ' GLU . 4.8 mt -102.71 -38.65 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.525 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 2.5 t -148.21 133.18 9.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.66 0.743 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.2 Cg_endo -69.75 -168.35 4.34 Favored 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.743 -1.774 . . . . 0.0 112.322 -0.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -111.93 -22.03 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -156.95 179.09 9.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -49.0 133.56 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 34.6 m -115.54 -175.33 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.411 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 1.7 t -151.94 138.87 19.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.411 ' HG ' ' C ' ' A' ' 19' ' ' SER . 5.9 mt -147.67 156.36 42.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 25.4 m -139.16 147.62 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 21' ' ' THR . 46.6 m-85 -151.21 173.1 14.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.495 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 30.1 m -111.13 140.02 46.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.455 ' HB ' ' CD ' ' A' ' 98' ' ' PRO . 96.3 m -44.69 146.98 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m 62.85 44.47 6.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 23' ' ' THR . 16.0 mm-40 -128.24 179.24 5.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -106.31 113.82 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 72' ' ' ALA . 80.9 t -109.24 133.25 55.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.817 HG13 HG13 ' A' ' 68' ' ' ILE . 24.1 t -140.64 112.05 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.6 mt -78.79 -175.81 4.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.0 m -157.2 145.75 19.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.9 t -162.31 155.33 20.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.46 ' HG2' HD12 ' A' ' 12' ' ' LEU . 17.8 tt0 -130.92 153.99 48.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.8 mt -127.37 172.37 10.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.471 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 3.4 t -93.0 -17.69 23.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.462 ' HG2' HG23 ' A' ' 9' ' ' VAL . 51.5 mmt-85 -123.64 139.42 54.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.507 HG22 ' H ' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -85.24 175.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.507 ' H ' HG22 ' A' ' 37' ' ' VAL . 36.1 t70 35.54 38.44 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.543 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 5.2 t80 -101.99 140.37 21.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.85 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.543 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.76 161.2 46.86 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.307 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.98 156.01 3.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.9 m -132.25 134.16 44.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -89.09 133.45 34.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -123.43 145.8 48.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.005 0.431 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -130.37 127.33 39.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.934 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 46.08 32.31 1.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.56 31.78 39.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -144.43 120.05 10.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -53.71 137.53 37.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.3 m -90.11 147.6 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -110.38 114.05 27.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -50.14 129.64 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 p -157.2 -176.33 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.26 -33.25 74.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.575 ' O ' HD23 ' A' ' 69' ' ' LEU . 38.5 mt -89.37 -1.6 58.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.604 HD21 HD11 ' A' ' 67' ' ' LEU . 3.6 tt -139.57 106.14 5.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 t -104.27 130.44 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.519 HG22 ' HG ' ' A' ' 67' ' ' LEU . 89.8 t -121.35 111.87 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -99.28 158.21 15.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.9 ttp -147.58 115.17 6.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -112.02 45.65 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.47 ' HA3' HG22 ' A' ' 37' ' ' VAL . . . 80.64 -88.68 1.32 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.448 ' HG2' ' C ' ' A' ' 36' ' ' ARG . 52.3 mtm180 -99.69 25.09 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.852 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -141.84 124.1 15.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -126.26 113.05 16.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -129.76 141.83 50.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.604 HD11 HD21 ' A' ' 56' ' ' LEU . 2.6 tt -107.4 121.99 45.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.817 HG13 HG13 ' A' ' 29' ' ' VAL . 12.7 mt -99.41 153.7 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 55' ' ' LEU . 30.3 mt -140.3 119.32 8.6 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.622 0.725 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -38.18 8.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -134.42 100.94 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.498 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -84.13 103.48 13.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -99.17 169.37 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.3 t -52.8 -32.34 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -69.36 -38.91 78.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -24.68 62.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.2 p -60.25 116.04 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 179.19 -177.16 48.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -97.74 128.47 44.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -107.16 155.95 19.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.451 ' OE1' ' C ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -151.0 140.0 21.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 39.3 t -106.23 83.56 1.91 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.405 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 13.4 ttt180 -64.68 134.07 53.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 87' ' ' VAL . 15.3 t -145.41 173.17 12.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.507 ' O ' HG12 ' A' ' 9' ' ' VAL . 1.1 tm-20 -72.21 68.54 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.06 -66.59 0.21 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.447 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.703 ' O ' HG22 ' A' ' 84' ' ' THR . 22.4 m -142.63 -177.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 111.086 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.78 148.8 37.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.63 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -101.55 166.16 10.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -136.26 123.22 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.467 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 83.7 m-85 -124.71 124.07 41.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.42 115.87 5.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.532 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.1 t -114.54 149.68 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.5 m -145.09 115.15 7.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.1 t -102.54 97.96 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -83.73 125.42 31.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -67.4 130.67 93.35 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.569 0.699 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.455 ' CD ' ' HB ' ' A' ' 24' ' ' THR . 53.7 Cg_endo -69.79 117.74 5.27 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.697 2.264 . . . . 0.0 112.372 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -151.27 106.33 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 147.81 147.68 4.59 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.523 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -3.34 11.83 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 53.3 p -46.68 108.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.3 p -46.96 132.83 11.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -128.29 -59.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.839 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -65.63 91.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.89 119.84 9.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 p -166.11 164.65 18.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.37 . . . . 0.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -151.09 153.53 35.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.61 148.73 22.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.545 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.421 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.76 -48.39 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 p -165.47 130.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -126.53 163.84 22.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 33' ' ' GLU . 30.8 mt -90.42 138.76 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.602 HD12 ' OE2' ' A' ' 33' ' ' GLU . 2.7 mt -104.78 -33.91 8.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.513 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 40.9 t -153.23 130.52 5.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.702 0.763 . . . . 0.0 110.823 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.9 Cg_endo -69.72 179.71 21.46 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.345 -0.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -100.14 -34.93 9.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -142.68 174.21 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 18.5 tptm -44.14 146.44 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 18.1 m -125.4 -179.92 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.5 p -150.97 119.07 6.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mt -130.78 156.43 44.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.435 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 19.7 m -140.07 155.04 47.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.452 ' CG ' HG22 ' A' ' 28' ' ' VAL . 78.0 m-85 -158.08 174.37 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.441 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 33.5 m -110.08 143.52 40.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.9 m -47.15 146.27 1.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 m 63.46 46.43 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 23' ' ' THR . 5.8 mm-40 -130.68 178.43 6.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.483 HH12 HG21 ' A' ' 29' ' ' VAL . 36.3 ttt-85 -106.1 116.75 32.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.452 HG22 ' CG ' ' A' ' 22' ' ' PHE . 84.5 t -114.44 128.52 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.624 HG13 ' CG1' ' A' ' 68' ' ' ILE . 28.3 t -133.49 124.4 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.9 mt -94.08 -177.1 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.1 m -158.3 142.25 15.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.8 t -150.54 158.03 43.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.602 ' OE2' HD12 ' A' ' 12' ' ' LEU . 32.7 tt0 -136.69 148.05 47.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.2 mt -126.29 172.57 9.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.7 p -87.45 -25.11 23.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.421 ' CZ ' ' O ' ' A' ' 8' ' ' PRO . 18.0 mtm180 -114.65 145.37 42.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.576 HG22 ' CA ' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -93.28 157.86 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t70 51.03 46.02 26.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.516 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 11.9 t80 -108.14 139.58 20.84 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.733 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.78 152.37 69.2 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.16 172.3 16.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.5 m -142.54 129.48 20.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.401 ' O ' HG22 ' A' ' 50' ' ' VAL . 76.8 m95 -88.67 125.79 35.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -119.06 139.23 52.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.932 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -126.89 132.05 51.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 t0 50.65 34.71 10.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.849 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.75 37.27 92.25 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -153.34 127.21 8.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -43.36 139.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 43' ' ' TRP . 31.5 m -84.73 155.72 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -105.69 107.09 17.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.03 117.54 6.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.7 t -159.11 -177.05 6.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -58.64 -33.72 70.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.4 mt -79.11 -14.59 59.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.45 HD21 HD21 ' A' ' 67' ' ' LEU . 5.8 tt -131.62 107.38 8.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.2 t -103.28 127.97 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.528 HG22 ' CD2' ' A' ' 67' ' ' LEU . 17.1 t -116.13 102.91 14.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -100.45 147.57 25.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -143.7 132.89 23.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -126.11 81.4 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.576 ' CA ' HG22 ' A' ' 37' ' ' VAL . . . 63.79 -84.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.02 34.08 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -139.84 112.72 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -111.65 126.39 54.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -137.04 144.68 43.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.528 ' CD2' HG22 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -110.82 116.85 31.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.624 ' CG1' HG13 ' A' ' 29' ' ' VAL . 50.7 mt -101.17 150.42 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.7 mt -138.04 118.69 10.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.722 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -38.4 7.99 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.384 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -135.06 93.81 3.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.93 101.06 5.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -95.56 166.86 11.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.4 t -54.74 -23.99 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -77.71 -26.85 50.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.77 -23.91 62.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 p -57.52 103.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.63 -179.79 41.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -98.84 133.13 43.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -107.35 153.8 22.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -148.79 129.37 14.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.9 t -98.67 82.99 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -64.23 131.64 47.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.767 HG22 ' O ' ' A' ' 87' ' ' VAL . 14.2 t -142.85 175.01 10.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -72.12 72.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 158.05 -67.38 0.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.767 ' O ' HG22 ' A' ' 84' ' ' THR . 29.6 m -141.46 -177.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 111.119 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.22 153.22 43.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.43 172.44 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.408 ' O ' HG22 ' A' ' 18' ' ' VAL . 57.0 m-85 -142.14 124.6 15.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.447 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 92.7 m-85 -127.77 115.22 18.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.74 114.92 4.63 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.96 131.35 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.0 m -126.9 121.85 32.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.6 t -104.67 99.69 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -87.1 125.54 34.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -68.24 133.0 91.5 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.84 61.34 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.9 m -113.3 -44.95 3.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -56.81 143.53 39.7 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 1.08 4.74 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.645 2.23 . . . . 0.0 112.374 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m 63.72 40.96 7.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 m -81.75 139.8 34.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.997 . . . . . . . . 0 0 . 1 . 006 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 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.5 p -106.19 147.56 28.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -63.62 163.35 11.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.35 -174.45 21.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t 64.63 42.77 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.389 . . . . 0.0 110.875 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m -84.15 176.5 8.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.814 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.17 128.54 3.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -50.2 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.771 HG11 ' CE2' ' A' ' 39' ' ' PHE . 4.6 p -149.7 128.45 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -128.95 134.51 48.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.739 HD12 HG23 ' A' ' 87' ' ' VAL . 29.1 mt -67.7 144.86 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt -110.8 -31.59 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.53 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 14.9 m -154.5 135.65 8.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.664 0.745 . . . . 0.0 110.819 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.8 Cg_endo -69.74 177.26 29.42 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.336 -0.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -92.53 -35.29 13.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -147.61 177.8 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -45.34 130.47 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 33.3 m -110.86 -178.12 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 t -152.57 134.05 14.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -143.2 158.4 43.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.7 m -138.63 152.83 48.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -155.55 171.01 20.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.451 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 35.1 m -107.11 149.68 27.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.8 m -49.53 144.31 5.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 m 62.66 47.36 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 23' ' ' THR . 6.2 mm-40 -126.8 174.24 8.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.0 ttt85 -103.51 121.81 43.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.2 t -116.82 133.36 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.692 HG13 HG13 ' A' ' 68' ' ' ILE . 24.7 t -140.44 109.81 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -78.14 -175.08 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.547 ' O ' ' CZ ' ' A' ' 91' ' ' PHE . 28.7 m -160.15 145.81 15.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.7 t -155.02 152.17 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -127.96 150.9 49.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 27.2 mt -134.07 169.82 16.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 t -104.14 34.84 2.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -161.21 118.94 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.509 HG22 ' HG2' ' A' ' 63' ' ' ARG . 41.3 t -73.72 146.23 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 t70 55.34 49.59 16.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.771 ' CE2' HG11 ' A' ' 9' ' ' VAL . 3.4 t80 -108.12 140.61 21.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.662 0.744 . . . . 0.0 110.89 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.0 Cg_endo -69.77 156.04 64.33 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.424 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . . . -172.69 149.94 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.5 m -127.97 130.54 48.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.536 ' CD1' HG21 ' A' ' 58' ' ' VAL . 68.5 m95 -84.1 134.2 34.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -125.9 143.82 50.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.988 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -132.21 127.86 36.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 t0 51.2 36.27 15.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.59 35.9 75.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.434 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -149.06 118.53 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -46.3 139.25 4.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 m -91.3 143.68 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -104.76 104.71 14.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.481 ' CD ' HG12 ' A' ' 58' ' ' VAL . 25.5 mt-10 -51.9 112.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.6 p -140.81 -175.39 4.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.2 -32.41 71.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.3 mt -88.04 -13.33 41.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.951 HD21 HD11 ' A' ' 67' ' ' LEU . 4.8 tt -132.87 99.64 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' ILE . 59.6 t -101.89 151.49 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.536 HG21 ' CD1' ' A' ' 43' ' ' TRP . 3.4 p -154.61 125.29 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -104.44 166.25 10.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.554 ' HG3' ' CE1' ' A' ' 65' ' ' HIS . 2.9 ttp -145.08 105.11 4.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.8 t70 -107.1 102.15 11.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 47.98 -93.21 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.509 ' HG2' HG22 ' A' ' 37' ' ' VAL . 14.5 ptt180 -117.54 37.46 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -139.4 116.65 11.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.554 ' CE1' ' HG3' ' A' ' 60' ' ' MET . 33.9 m-70 -112.25 139.13 48.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -151.54 141.69 22.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.951 HD11 HD21 ' A' ' 56' ' ' LEU . 5.7 tt -109.96 121.73 45.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.692 HG13 HG13 ' A' ' 29' ' ' VAL . 26.3 mt -98.23 157.2 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.509 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 43.7 mt -143.98 119.15 6.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -39.84 5.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.656 2.237 . . . . 0.0 112.333 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -134.47 103.17 5.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.83 96.84 5.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.88 153.5 21.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.2 t -47.76 -29.54 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -76.9 -32.1 57.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -61.85 -21.96 65.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.0 p -64.37 125.96 26.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.9 -152.91 13.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -116.48 130.8 56.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.604 ' CE2' HD13 ' A' ' 67' ' ' LEU . 25.1 m-85 -106.36 154.13 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -148.03 130.27 15.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 11.8 t -99.38 74.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -58.17 134.34 56.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 87' ' ' VAL . 14.9 t -150.82 166.06 31.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.485 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -66.42 76.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.27 -72.03 0.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.739 HG23 HD12 ' A' ' 11' ' ' ILE . 30.8 m -137.59 175.9 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 111.109 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.4 147.64 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.16 179.75 4.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -151.13 127.65 10.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.547 ' CZ ' ' O ' ' A' ' 31' ' ' THR . 81.7 m-85 -128.1 119.03 24.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.54 120.36 5.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.4 t -120.85 143.87 31.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 0.0 111.111 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.2 m -140.87 112.69 7.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.5 t -98.48 112.75 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -107.14 126.16 52.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -66.41 138.91 95.96 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.594 0.711 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.451 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.9 Cg_endo -69.77 142.76 48.74 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.357 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.2 m -81.55 113.77 19.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 143.85 141.09 3.73 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 165.14 31.88 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.701 2.267 . . . . 0.0 112.377 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.3 m -60.4 100.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 84.2 p 41.45 39.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -65.86 156.74 32.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -51.61 -48.25 63.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.69 -85.89 1.56 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 p -43.21 129.48 4.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 110.85 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -110.57 95.83 5.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.19 176.45 1.34 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.27 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.704 2.269 . . . . 0.0 112.378 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.407 ' CG1' ' HB2' ' A' ' 85' ' ' GLU . 7.3 p -164.68 134.59 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -135.51 130.94 35.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 89' ' ' ALA . 97.6 mt -52.91 150.25 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.469 HD12 ' HG2' ' A' ' 33' ' ' GLU . 6.2 mt -114.69 -35.28 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 1.6 t -149.24 132.73 8.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.741 . . . . 0.0 110.831 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.81 178.89 24.01 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.345 -0.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -96.59 -38.06 10.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' LYS . 2.0 p30 -140.54 164.07 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ASP . 29.5 tttt -35.43 130.01 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.532 HG22 ' HA ' ' A' ' 91' ' ' PHE . 14.2 m -109.66 155.8 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -125.63 126.99 45.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.7 mt -139.87 155.63 47.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -140.55 134.75 31.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.518 ' CG ' HG22 ' A' ' 28' ' ' VAL . 83.1 m-85 -134.01 165.39 25.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.434 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 89.1 m -103.57 150.8 23.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.168 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.8 m -52.16 144.6 12.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.8 m 64.07 49.88 2.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -135.71 178.43 7.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -103.24 116.24 32.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.518 HG22 ' CG ' ' A' ' 22' ' ' PHE . 87.9 t -110.52 112.58 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 p -127.87 122.61 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.7 mt -92.37 -174.79 3.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.6 m -153.57 135.54 14.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.0 t -146.69 141.59 26.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.469 ' HG2' HD12 ' A' ' 12' ' ' LEU . 14.9 tt0 -123.35 153.25 40.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.2 mt -129.91 171.62 12.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.3 p -89.4 -28.86 19.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -101.25 145.74 28.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.679 HG22 ' HG2' ' A' ' 63' ' ' ARG . 95.3 t -96.11 141.87 14.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.488 ' CG ' HG12 ' A' ' 37' ' ' VAL . 29.2 m-20 62.31 36.26 14.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.513 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 16.2 t80 -94.31 139.5 22.47 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.642 0.735 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.513 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.2 Cg_endo -69.78 149.52 66.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.622 2.215 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.42 174.7 13.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.5 m -149.75 144.6 26.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -97.51 125.59 42.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -122.86 136.86 55.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -123.28 132.7 54.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t70 46.79 37.97 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.39 40.15 97.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -150.73 124.16 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -47.38 140.76 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.4 m -88.94 152.46 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -107.63 98.52 8.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 mp0 -51.49 124.26 11.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 56' ' ' LEU . 24.0 p -162.18 174.43 12.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -49.28 -38.19 26.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 69' ' ' LEU . 97.3 mt -74.52 -21.8 59.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.591 ' HG ' HD21 ' A' ' 67' ' ' LEU . 5.9 tt -129.42 106.93 9.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.5 t -101.73 130.96 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.9 t -121.86 108.93 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -99.15 146.82 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.521 ' HG3' ' CE1' ' A' ' 65' ' ' HIS . 2.4 ttt -124.45 147.65 48.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.474 ' N ' ' HG2' ' A' ' 60' ' ' MET . 4.8 m-20 -161.07 152.42 19.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 63' ' ' ARG . . . -35.14 121.64 0.49 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.679 ' HG2' HG22 ' A' ' 37' ' ' VAL . 2.6 ptp180 33.94 42.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.863 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -156.27 115.4 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.521 ' CE1' ' HG3' ' A' ' 60' ' ' MET . 50.8 m-70 -128.99 141.37 51.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -154.2 152.36 30.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.591 HD21 ' HG ' ' A' ' 56' ' ' LEU . 3.5 tt -113.66 126.2 55.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 69' ' ' LEU . 14.3 mt -103.61 152.3 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 55' ' ' LEU . 18.2 mt -139.99 119.42 8.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.719 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -39.4 6.52 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.632 2.221 . . . . 0.0 112.334 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -131.51 120.48 23.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.443 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -88.44 99.0 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' ASP . 12.2 pttm -94.82 146.35 24.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.933 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.9 t -42.21 -32.84 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -68.65 -38.23 80.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' LYS . 21.0 m-20 -52.56 -31.93 38.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.2 p -55.19 119.76 6.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.18 175.63 39.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -80.46 126.75 31.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -106.42 131.65 53.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 90' ' ' PHE . 5.6 tt0 -121.36 138.34 54.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 34.9 t -119.27 82.36 1.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -74.34 144.41 44.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.524 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -128.43 -75.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.524 ' H ' HG23 ' A' ' 84' ' ' THR . 0.9 OUTLIER -117.12 -65.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.21 -17.64 1.77 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.27 174.01 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.82 150.11 17.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.836 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.642 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -102.91 136.32 42.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 81' ' ' GLU . 3.4 m-85 -102.08 135.83 42.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.532 ' HA ' HG22 ' A' ' 18' ' ' VAL . 50.8 m-85 -126.95 113.78 16.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -84.07 110.16 3.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.438 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 84.1 t -112.51 145.09 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.4 m -142.28 112.31 6.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.9 t -95.28 111.58 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -104.83 128.79 53.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -73.56 134.91 78.81 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.635 0.731 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.434 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.5 Cg_endo -69.77 171.47 14.42 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 m -89.41 92.31 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -177.25 161.75 29.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -41.03 4.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.7 m 46.87 42.26 11.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.2 m -132.21 128.83 38.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -83.68 167.0 17.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -165.86 149.47 7.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.91 122.12 11.34 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.6 p -128.62 42.78 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 p -92.24 -51.49 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.35 151.75 18.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -47.75 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.655 2.236 . . . . 0.0 112.323 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.513 HG11 ' CE2' ' A' ' 39' ' ' PHE . 6.3 p -158.73 138.56 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.473 ' HD2' HD23 ' A' ' 12' ' ' LEU . 5.6 p-80 -136.82 147.32 46.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.455 ' H ' HG21 ' A' ' 87' ' ' VAL . 70.2 mt -73.93 145.81 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.522 HD12 ' CD ' ' A' ' 33' ' ' GLU . 3.4 mt -109.36 -33.48 6.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.538 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 47.6 t -155.47 136.68 9.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.75 -178.11 16.0 Favored 'Cis proline' 0 C--O 1.231 0.15 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.322 -0.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -97.31 -34.72 10.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -145.04 167.43 22.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -40.22 131.66 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 91' ' ' PHE . 21.5 m -108.54 -179.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 t -144.68 132.03 20.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mt -144.44 158.14 43.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.6 m -143.1 140.48 30.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -141.73 175.16 9.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.2 m -108.11 145.13 34.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.9 m -51.4 140.55 17.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.4 m 69.32 48.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -133.07 163.62 28.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -94.75 114.74 26.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.3 t -108.17 143.65 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.803 HG22 HG12 ' A' ' 68' ' ' ILE . 59.8 t -145.52 105.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.5 mt -75.83 -174.97 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 m -161.34 136.37 7.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.4 t -151.98 146.98 26.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.522 ' CD ' HD12 ' A' ' 12' ' ' LEU . 50.9 tt0 -118.7 153.04 35.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.0 mt -135.13 175.31 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 t -107.48 32.14 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.441 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 26.0 mtp85 -159.32 121.53 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.632 HG13 ' HA2' ' A' ' 62' ' ' GLY . 25.5 t -75.72 144.2 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 50.16 51.56 16.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.529 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 10.5 t80 -104.21 139.66 20.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.79 142.73 48.59 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.657 2.238 . . . . 0.0 112.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.94 170.54 21.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.6 m -146.72 113.17 5.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -70.51 135.65 48.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 63.8 m-85 -126.11 135.61 51.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -124.48 128.74 49.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 t70 49.48 41.31 20.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.03 39.37 97.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.461 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -148.45 130.62 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 39.4 tttt -56.25 141.85 39.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.4 m -93.67 154.61 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -107.28 126.36 52.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -75.91 111.79 11.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 t -157.88 177.69 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.799 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -49.08 -39.64 28.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.7 mt -71.02 -23.39 62.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.682 ' HG ' HD21 ' A' ' 67' ' ' LEU . 8.0 tt -131.15 105.48 7.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.1 t -102.49 137.88 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.0 t -129.0 123.89 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -119.12 162.52 18.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.49 ' SD ' ' CE1' ' A' ' 65' ' ' HIS . 31.0 ttp -141.16 113.87 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.96 77.2 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.632 ' HA2' HG13 ' A' ' 37' ' ' VAL . . . 39.28 93.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HG3' HG22 ' A' ' 37' ' ' VAL . 64.3 mtt180 65.32 25.37 12.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.901 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -133.79 105.79 6.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.49 ' CE1' ' SD ' ' A' ' 60' ' ' MET . 82.6 m-70 -109.57 116.26 31.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -132.44 144.2 50.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.682 HD21 ' HG ' ' A' ' 56' ' ' LEU . 3.2 tt -111.03 122.37 47.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.803 HG12 HG22 ' A' ' 29' ' ' VAL . 17.4 mt -102.16 152.51 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.424 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 29.2 mt -139.08 118.86 9.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -37.59 8.81 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.664 2.243 . . . . 0.0 112.304 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -134.02 99.72 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.55 98.78 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -91.99 -179.07 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.64 -27.68 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -66.15 -43.13 87.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.37 -11.99 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -69.08 90.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -161.46 -144.79 4.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -126.55 133.95 50.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.588 ' CE2' HD13 ' A' ' 67' ' ' LEU . 9.3 m-85 -106.48 163.89 12.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -157.15 131.31 8.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 52.5 t -97.09 77.52 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -59.07 124.41 19.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.824 HG22 ' O ' ' A' ' 87' ' ' VAL . 14.5 t -138.36 165.73 26.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.06 80.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.96 -69.16 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.824 ' O ' HG22 ' A' ' 84' ' ' THR . 27.7 m -135.7 -177.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.09 154.09 37.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.43 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -105.78 171.66 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -141.77 120.69 12.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.441 ' HA ' HG22 ' A' ' 18' ' ' VAL . 87.2 m-85 -119.03 112.26 19.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.32 95.79 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 97.1 t -97.96 143.5 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.398 . . . . 0.0 111.09 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.1 m -147.24 112.46 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.212 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.7 t -95.71 108.58 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -98.01 122.91 41.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -61.61 139.68 95.16 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.573 0.701 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -169.72 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.232 . . . . 0.0 112.351 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.5 m -157.7 169.79 23.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 65.82 146.32 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.5 Cg_endo -69.76 1.52 4.36 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 101' ' ' PRO . 34.4 t -35.31 -60.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.8 m -89.38 115.19 26.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -43.73 152.1 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.854 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 m -122.0 137.97 54.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.79 59.54 4.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t -90.05 158.29 17.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.904 0.383 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -76.97 96.01 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.14 161.86 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.45 0.73 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.511 HG12 ' O ' ' A' ' 85' ' ' GLU . 6.3 p -148.21 129.59 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -127.6 133.78 49.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.427 HD13 ' HB2' ' A' ' 89' ' ' ALA . 62.6 mt -69.4 144.44 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mt -107.86 -37.86 5.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.519 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 39.7 t -150.2 135.52 9.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.71 -178.27 16.28 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.386 -0.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -96.36 -40.44 9.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -143.62 173.93 11.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -40.52 132.62 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 27.4 m -113.56 178.5 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 m -147.95 122.83 10.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -133.72 162.0 33.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.5 m -140.02 150.87 44.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.738 ' CD2' HG22 ' A' ' 28' ' ' VAL . 82.0 m-85 -151.93 175.26 12.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 24' ' ' THR . 23.1 m -111.09 155.41 22.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.147 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.413 ' N ' HG22 ' A' ' 23' ' ' THR . 60.5 m -61.32 140.87 57.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 66.23 47.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -131.19 175.8 8.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.4 ttt85 -104.26 112.89 26.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.738 HG22 ' CD2' ' A' ' 22' ' ' PHE . 54.4 t -109.55 132.95 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.691 HG13 ' CG1' ' A' ' 68' ' ' ILE . 16.7 t -138.34 114.45 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.5 mt -81.44 -175.06 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 m -157.69 142.72 16.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.1 t -163.44 133.97 4.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -107.53 142.5 37.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.552 HD12 ' CD2' ' A' ' 65' ' ' HIS . 27.7 mt -116.42 171.99 7.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 t -108.65 25.83 11.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.472 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 13.3 mtp85 -150.57 117.7 5.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.49 HG22 ' HG3' ' A' ' 63' ' ' ARG . 98.6 t -75.23 136.58 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 62.14 42.68 9.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.48 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 3.8 t80 -103.4 139.09 19.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.48 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.4 Cg_endo -69.81 150.0 67.3 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.3 159.74 37.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.2 m -138.77 120.8 15.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -81.21 138.48 35.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.512 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 69.3 m-85 -129.29 135.81 49.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.955 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -117.9 132.89 56.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 t70 46.24 38.83 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.45 37.44 92.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.507 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -148.26 128.86 14.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.512 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 16.7 ttmt -48.33 144.31 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.405 ' HB ' ' CD1' ' A' ' 56' ' ' LEU . 16.3 m -94.4 147.6 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -102.38 115.6 30.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.0 115.21 5.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 t -156.75 179.35 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -55.45 -31.06 61.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.5 mt -80.41 -16.56 54.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.462 ' HG ' HD11 ' A' ' 67' ' ' LEU . 9.5 tt -131.49 107.34 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.8 t -105.06 132.72 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.839 HG22 HD22 ' A' ' 67' ' ' LEU . 92.1 t -124.42 120.43 59.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -104.75 134.41 47.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' CE1' ' A' ' 65' ' ' HIS . 0.7 OUTLIER -125.15 119.02 27.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -133.78 102.1 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.421 ' CA ' HG13 ' A' ' 37' ' ' VAL . . . 44.58 -98.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HG3' HG22 ' A' ' 37' ' ' VAL . 58.3 mtm180 -112.01 38.04 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.367 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -135.2 113.28 11.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.575 ' CE1' ' HG3' ' A' ' 60' ' ' MET . 39.1 m-70 -122.94 126.06 46.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -142.36 161.39 38.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.839 HD22 HG22 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -121.69 118.42 29.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.691 ' CG1' HG13 ' A' ' 29' ' ' VAL . 61.5 mt -100.98 153.37 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.431 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 45.6 mt -142.42 118.48 6.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 110.918 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -37.31 9.46 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -133.42 98.81 4.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.21 92.34 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.085 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -84.65 153.83 22.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.2 t -43.15 -38.08 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -60.55 -41.19 94.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -48.88 -35.21 14.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.5 p -48.46 103.76 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.21 -151.74 7.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -123.6 129.15 50.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -107.0 144.03 34.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -138.09 130.15 28.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 48.7 t -91.83 76.28 5.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -59.57 127.25 31.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.769 HG22 ' O ' ' A' ' 87' ' ' VAL . 14.8 t -143.49 167.27 22.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.511 ' O ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -65.69 79.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 151.47 -72.72 0.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.769 ' O ' HG22 ' A' ' 84' ' ' THR . 35.7 m -136.68 -177.25 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 111.13 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.17 150.73 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.427 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -103.28 172.11 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -134.92 129.5 34.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.468 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 94.5 m-85 -128.52 123.5 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.98 120.38 6.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 94.2 t -117.57 135.78 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 111.189 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 52.8 m -130.42 109.95 11.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.0 t -95.91 105.3 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -97.78 125.82 42.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -72.08 130.43 86.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.634 0.73 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 113.22 3.3 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.4 m -63.72 111.51 2.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.69 -173.0 45.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.526 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 110.21 2.5 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 t -105.03 150.79 24.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 t -118.03 -57.6 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.524 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.0 t -113.87 107.52 15.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.934 0.397 . . . . 0.0 110.826 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 t -130.26 157.69 41.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.815 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -179.88 -136.01 2.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 4' ' ' GLY . 51.8 p -34.94 144.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 t -91.12 85.11 5.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.85 81.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -50.05 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.8 p -159.33 136.25 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.167 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -129.0 133.95 47.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.7 mt -57.31 148.15 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 mt -116.47 -34.82 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.508 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 29.6 t -150.01 129.17 6.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.687 0.756 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.77 -174.02 9.11 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.364 -0.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -101.11 -36.66 8.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -145.0 175.88 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 tptm -48.51 130.79 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 28.4 m -110.47 170.23 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.407 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 11.4 t -135.07 132.13 37.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.407 ' HG ' ' C ' ' A' ' 19' ' ' SER . 5.6 mt -147.25 149.38 32.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 m -131.69 131.94 43.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -132.75 169.02 17.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 25.6 m -110.58 151.44 27.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.3 m -51.62 149.64 4.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 p 60.49 45.45 10.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 23' ' ' THR . 9.4 mm-40 -129.4 176.1 8.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -104.1 117.34 34.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.3 t -114.5 114.2 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -127.96 116.16 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.6 mt -87.53 -175.01 5.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.0 m -157.52 135.24 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.2 t -141.56 153.99 45.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -134.24 151.75 51.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.5 mt -127.61 173.94 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -87.19 -22.97 24.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -116.72 145.46 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.537 HG13 ' OD2' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -91.8 163.1 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.537 ' OD2' HG13 ' A' ' 37' ' ' VAL . 2.9 p30 47.31 42.09 13.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.515 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 23.0 t80 -103.34 139.29 19.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.2 Cg_endo -69.72 149.35 67.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -161.1 177.82 9.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.3 m -154.49 141.6 19.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.096 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -94.13 143.81 26.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.449 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 96.9 m-85 -140.32 151.25 44.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -131.92 126.47 34.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 51.71 38.06 21.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.83 29.97 66.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -133.75 155.8 49.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.449 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 74.4 tttt -83.8 126.7 33.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.1 m -75.06 157.43 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -112.59 107.42 16.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -59.7 118.24 5.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 p -154.8 -178.44 7.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -54.96 -38.09 67.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.5 mt -80.35 -10.44 59.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.652 HD21 HD11 ' A' ' 67' ' ' LEU . 1.5 tt -131.01 104.9 7.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.4 t -102.12 135.62 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.657 HG22 ' HG ' ' A' ' 67' ' ' LEU . 89.3 t -128.15 104.83 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -99.26 134.21 42.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.419 ' C ' ' SD ' ' A' ' 60' ' ' MET . 0.4 OUTLIER -121.32 134.98 55.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -134.76 88.61 2.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.474 ' CA ' HG22 ' A' ' 37' ' ' VAL . . . 51.79 -95.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.421 ' HG2' HG23 ' A' ' 37' ' ' VAL . 10.7 ptt180 -109.62 32.13 5.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -142.41 107.59 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -111.19 130.33 55.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -140.83 142.38 34.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.657 ' HG ' HG22 ' A' ' 58' ' ' VAL . 2.4 tt -107.35 124.2 49.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.4 mt -103.26 148.36 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.491 HD13 ' OD2' ' A' ' 76' ' ' ASP . 53.6 mt -137.14 119.67 11.45 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.615 0.722 . . . . 0.0 110.958 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -36.08 11.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -132.81 114.71 14.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.25 95.07 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -86.93 148.07 25.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.5 t -42.2 -37.01 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -64.64 -40.52 95.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.491 ' OD2' HD13 ' A' ' 69' ' ' LEU . 20.0 t0 -49.56 -31.77 11.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 p -55.06 124.74 17.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.17 176.42 32.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -80.62 131.81 35.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -107.1 128.34 54.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -116.67 136.67 52.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 17.3 t -114.72 78.24 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.2 mtp85 -66.06 128.72 37.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -116.22 -74.3 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.448 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 4.5 tp10 -119.69 -64.9 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.14 -22.26 1.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.435 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.7 m -113.33 172.78 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.29 162.58 40.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.78 170.17 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.03 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -135.56 115.37 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.468 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 79.7 m-85 -115.72 113.91 24.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.48 117.56 4.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.2 t -120.55 145.94 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.927 0.394 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.559 HG22 ' HG3' ' A' ' 96' ' ' GLN . 96.7 m -142.31 109.4 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.1 t -96.27 96.76 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.559 ' HG3' HG22 ' A' ' 94' ' ' THR . 75.4 mt-30 -95.41 122.35 38.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -63.27 134.83 95.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.565 0.698 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.448 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.3 Cg_endo -69.81 156.32 63.5 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.8 m -47.73 -49.4 28.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -123.54 145.12 15.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.476 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 127.04 13.97 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -115.93 131.47 56.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.3 t -132.74 -49.6 0.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.5 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.4 p -90.73 106.99 18.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.38 . . . . 0.0 110.849 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -157.45 147.78 20.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.88 120.66 6.93 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' SER . 68.1 m -72.25 128.79 36.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.852 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' SER . 35.3 t -35.91 -63.04 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.24 147.95 27.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.536 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.8 p -164.72 153.62 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -154.93 135.04 13.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -60.5 145.81 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 mt -110.39 -36.16 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 2.2 t -152.32 137.22 10.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.676 0.751 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.74 -176.16 12.12 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.378 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -99.88 -37.5 9.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.24 170.04 16.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.2 tptm -44.62 134.0 5.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 30.6 m -113.56 170.95 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.1 p -142.47 131.8 23.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -140.91 165.94 26.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.1 m -142.49 144.53 33.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -145.58 170.55 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.402 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 57.7 m -113.37 152.8 29.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.2 m -51.99 143.91 12.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 m 62.54 49.01 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.801 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -130.32 178.35 6.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -104.43 114.2 28.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 72' ' ' ALA . 96.6 t -108.15 112.69 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.14 109.81 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.7 mt -79.28 -174.38 4.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.47 ' O ' ' CE2' ' A' ' 91' ' ' PHE . 21.9 m -155.34 137.17 14.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.1 t -151.74 148.41 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -124.85 155.79 38.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.446 HD12 ' CD2' ' A' ' 65' ' ' HIS . 60.0 mt -136.21 -177.47 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 t -114.77 8.32 16.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.438 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 2.4 mmp_? -135.27 140.9 45.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.561 HG22 ' HG3' ' A' ' 63' ' ' ARG . 71.0 t -96.11 153.12 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.412 ' N ' HG12 ' A' ' 37' ' ' VAL . 28.9 m-20 51.97 31.76 9.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.529 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 6.7 t80 -91.4 140.07 25.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.65 0.738 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.2 Cg_endo -69.78 148.16 64.31 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.254 . . . . 0.0 112.347 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.75 170.03 19.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.5 m -154.5 136.92 14.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -88.27 138.23 31.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 96.5 m-85 -132.98 132.75 42.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -117.27 128.28 54.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 50.26 42.95 26.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.52 38.2 95.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.476 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -146.91 124.56 11.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.532 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 43.3 tttm -50.2 144.72 6.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.3 m -90.28 151.77 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -98.92 119.38 37.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -77.29 115.59 17.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.7 p -159.15 -179.38 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -53.92 -34.35 59.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.9 mt -79.43 -11.81 59.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.486 HD21 HD11 ' A' ' 67' ' ' LEU . 2.3 tt -132.7 105.55 7.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.704 HG12 ' HD3' ' A' ' 59' ' ' LYS . 13.9 t -102.01 125.67 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.2 t -112.46 112.65 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.704 ' HD3' HG12 ' A' ' 57' ' ' VAL . 5.6 mmmm -102.42 133.79 46.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.462 ' HG3' ' CE1' ' A' ' 65' ' ' HIS . 5.3 ttp -123.47 102.13 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.16 75.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.15 -95.87 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.509 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.561 ' HG3' HG22 ' A' ' 37' ' ' VAL . 25.2 mtt180 -95.59 -19.11 20.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -93.24 123.34 36.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.462 ' CE1' ' HG3' ' A' ' 60' ' ' MET . 21.6 m-70 -123.21 129.26 51.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.823 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -142.24 155.02 45.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.486 HD11 HD21 ' A' ' 56' ' ' LEU . 3.1 tt -119.09 123.56 44.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.441 ' N ' HD23 ' A' ' 67' ' ' LEU . 17.5 mt -100.0 151.34 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 30.8 mt -140.3 119.2 8.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.616 0.722 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -38.93 7.18 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.379 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -129.35 109.87 11.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.486 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -80.25 93.23 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -84.59 146.08 27.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.9 t -43.76 -31.58 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -68.93 -39.28 79.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -52.15 -33.52 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 p -52.67 139.2 26.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.37 -159.48 28.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -103.72 129.64 51.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -107.43 130.56 54.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -119.95 132.23 55.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.0 t -110.1 95.97 5.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -86.79 150.84 23.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.699 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -135.0 -75.12 0.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.699 ' H ' HG23 ' A' ' 84' ' ' THR . 17.9 tt0 -118.28 -65.16 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.33 -22.74 1.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.2 m -114.88 158.64 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.53 168.35 19.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.4 ' C ' ' CD1' ' A' ' 90' ' ' PHE . . . -108.18 179.18 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 89' ' ' ALA . 55.4 m-85 -146.94 125.39 12.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.471 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 62.4 m-85 -128.82 117.78 21.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.72 130.09 9.48 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.4 t -131.25 142.64 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 64.3 m -141.18 109.43 5.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.7 t -94.04 100.76 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -94.24 121.7 36.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -66.24 133.05 94.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.402 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.1 Cg_endo -69.81 179.89 3.4 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 t -98.69 78.99 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -145.82 131.49 4.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 126.15 12.98 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.642 2.228 . . . . 0.0 112.381 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.4 t -158.39 132.0 7.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.4 p -65.82 -19.49 65.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -50.62 150.38 2.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t 53.05 30.65 9.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.83 154.96 19.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 m -66.86 172.13 4.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.7 p -76.74 121.4 23.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.36 120.66 3.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.64 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 85' ' ' GLU . 1.5 p -142.27 132.13 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.543 ' CE1' ' OG ' ' A' ' 35' ' ' SER . 29.0 p-80 -134.69 131.38 37.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.475 ' H ' HG21 ' A' ' 87' ' ' VAL . 49.9 mt -66.5 139.7 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -105.44 -32.6 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.523 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 30.1 t -158.85 130.83 4.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.654 0.74 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.3 Cg_endo -69.82 -169.89 5.46 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.342 0.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -125.54 -29.48 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -135.39 158.58 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' HE2' ' CD ' ' A' ' 79' ' ' GLU . 16.3 tptp -40.06 129.95 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 91' ' ' PHE . 16.7 m -108.79 178.04 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -149.97 118.72 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mt -130.61 153.76 48.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.419 HG21 ' NE2' ' A' ' 96' ' ' GLN . 17.9 m -139.88 136.2 33.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.537 ' CG ' HG22 ' A' ' 28' ' ' VAL . 93.9 m-85 -135.58 167.05 21.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.488 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 78.1 m -102.92 144.66 30.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.132 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 25' ' ' SER . 91.1 m -46.13 156.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.467 ' N ' HG22 ' A' ' 24' ' ' THR . 96.4 p 51.78 51.0 17.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 23' ' ' THR . 31.5 mm-40 -137.52 174.16 10.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -99.16 115.88 30.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.537 HG22 ' CG ' ' A' ' 22' ' ' PHE . 79.2 t -110.61 116.04 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.17 119.32 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.7 mt -89.31 -176.69 5.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 m -150.41 143.07 24.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.7 t -153.89 145.47 23.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -123.56 150.32 44.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.9 mt -130.75 173.97 10.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.543 ' OG ' ' CE1' ' A' ' 10' ' ' HIS . 5.5 t -105.99 5.87 30.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' C ' ' HG3' ' A' ' 63' ' ' ARG . 13.4 mtp180 -130.68 117.05 18.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.636 HG13 ' HA2' ' A' ' 62' ' ' GLY . 96.0 t -73.62 136.7 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t0 63.91 52.93 2.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.53 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.2 t80 -113.32 140.59 24.56 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.73 163.09 39.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.87 163.16 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.3 m -141.41 123.27 15.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.485 ' O ' HG22 ' A' ' 50' ' ' VAL . 85.6 m95 -77.83 132.24 37.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -123.98 133.39 53.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -113.75 130.08 56.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 t0 49.95 39.81 19.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.13 22.81 77.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -128.05 155.98 43.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -80.26 127.11 31.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 43' ' ' TRP . 4.9 m -83.54 155.54 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -108.26 140.61 41.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -87.63 113.91 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -151.78 -176.18 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -58.74 -25.76 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.713 ' O ' HD23 ' A' ' 69' ' ' LEU . 75.6 mt -88.77 -13.33 39.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 67' ' ' LEU . 1.3 tt -133.46 105.05 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 t -102.13 135.67 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.9 t -125.82 108.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -99.18 135.35 40.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.6 ttt -116.14 153.11 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -164.2 156.68 17.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.636 ' HA2' HG13 ' A' ' 37' ' ' VAL . . . -39.84 106.03 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.465 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.422 ' HG3' ' C ' ' A' ' 36' ' ' ARG . 50.6 mtt180 53.85 42.68 31.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.893 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -154.5 122.58 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -137.03 115.06 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -129.59 148.94 51.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 68' ' ' ILE . 3.5 tt -111.35 122.19 47.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.561 ' N ' HD23 ' A' ' 67' ' ' LEU . 22.1 mt -100.78 152.11 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.713 HD23 ' O ' ' A' ' 55' ' ' LEU . 10.7 mt -140.04 119.55 8.88 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.601 0.715 . . . . 0.0 110.912 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -37.37 9.21 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -134.02 112.8 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -86.19 94.27 9.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -88.24 152.47 21.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.2 t -49.11 -29.69 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -69.12 -34.89 75.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.61 -10.45 56.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 m -68.9 104.96 2.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.08 -159.82 20.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.454 ' OE2' ' N ' ' A' ' 91' ' ' PHE . 32.6 tp10 -107.85 134.45 50.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.457 ' CE2' HD13 ' A' ' 67' ' ' LEU . 22.7 m-85 -106.28 153.79 21.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -150.23 131.55 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 52.9 t -99.76 76.1 1.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -57.95 133.82 55.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 87' ' ' VAL . 13.2 t -152.13 166.78 30.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 7.1 tp10 -69.47 77.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 156.74 -68.51 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.737 ' O ' HG22 ' A' ' 84' ' ' THR . 36.0 m -140.88 -177.71 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.21 146.13 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.49 165.83 10.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -136.33 122.11 19.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.457 ' HA ' HG22 ' A' ' 18' ' ' VAL . 77.6 m-85 -123.52 117.16 24.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.4 ' N ' ' NZ ' ' A' ' 17' ' ' LYS . . . -89.04 104.59 3.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 98.1 t -103.14 142.77 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.404 HG22 ' HG3' ' A' ' 96' ' ' GLN . 18.1 m -139.95 120.2 13.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.489 HG11 ' O ' ' A' ' 72' ' ' ALA . 11.7 t -105.29 101.78 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.419 ' NE2' HG21 ' A' ' 21' ' ' THR . 38.6 mt-30 -97.01 118.49 33.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -56.22 133.37 75.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.14 25.31 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.9 t -93.37 84.04 4.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -48.49 145.03 6.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 129.52 17.75 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 m -104.86 90.97 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 82.7 p -88.43 134.48 33.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -97.45 146.92 24.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.363 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -79.03 -43.5 24.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.2 145.29 10.57 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 m -56.16 150.26 14.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.9 p -58.96 111.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . 90.99 95.76 1.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HD2' ' HA2' ' A' ' 7' ' ' GLY . 53.6 Cg_endo -69.72 -46.67 1.16 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.267 . . . . 0.0 112.324 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.878 HG11 ' CE2' ' A' ' 39' ' ' PHE . 5.9 p -133.86 113.11 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -113.49 142.31 46.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.67 ' H ' HG21 ' A' ' 87' ' ' VAL . 53.2 mt -79.94 138.45 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.43 HD12 ' CD ' ' A' ' 33' ' ' GLU . 1.2 mt -98.84 -31.6 11.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 3.4 m -159.97 144.15 10.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.709 0.766 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.0 Cg_endo -69.72 171.88 51.46 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.346 -0.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -89.62 -29.14 19.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -148.93 165.27 32.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.18 129.1 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.6 m -110.58 153.8 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -118.85 136.14 54.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mt -138.05 157.2 46.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 m -143.5 137.21 28.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.413 ' CG ' HG22 ' A' ' 28' ' ' VAL . 63.0 m-85 -143.21 179.24 7.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.437 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 52.9 m -115.74 141.9 47.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.0 m -47.33 139.68 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.6 t 72.67 44.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -134.46 174.12 10.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -98.5 121.42 40.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.413 HG22 ' CG ' ' A' ' 22' ' ' PHE . 78.3 t -118.51 116.0 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -125.93 117.36 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.441 HD22 ' HB3' ' A' ' 91' ' ' PHE . 34.6 mt -84.22 -174.74 5.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 m -154.87 145.8 22.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.2 t -158.09 151.42 23.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.43 ' CD ' HD12 ' A' ' 12' ' ' LEU . 73.1 tt0 -128.35 146.17 50.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.2 mt -124.08 -176.04 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 p -113.98 2.75 15.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.433 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 30.1 mtp180 -134.18 129.68 36.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.793 HG13 ' HA2' ' A' ' 62' ' ' GLY . 7.6 t -77.32 143.31 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 56.17 45.05 24.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.878 ' CE2' HG11 ' A' ' 9' ' ' VAL . 7.2 t80 -98.65 139.96 21.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.685 0.755 . . . . 0.0 110.844 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.81 143.37 50.38 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.42 154.42 22.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.5 m -133.72 134.24 42.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -88.91 143.23 27.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.546 ' CD2' ' HA ' ' A' ' 49' ' ' LYS . 92.0 m-85 -136.03 145.66 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -127.29 128.49 46.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 t70 54.93 30.97 14.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.32 21.98 71.7 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.507 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -125.99 152.33 45.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.546 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 25.3 ttmt -75.39 127.97 34.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.3 m -79.06 167.66 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -124.1 140.1 53.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -88.18 117.53 27.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.7 p -156.95 -175.17 5.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -59.17 -32.8 70.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.6 mt -82.38 -15.23 53.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.61 HD21 HD11 ' A' ' 67' ' ' LEU . 1.2 tt -133.41 106.59 7.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.9 t -105.17 128.77 58.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.57 106.18 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -99.24 131.63 45.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.552 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 3.4 ttt -113.22 166.44 11.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 60' ' ' MET . 3.1 t0 -174.63 167.22 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.793 ' HA2' HG13 ' A' ' 37' ' ' VAL . . . -45.32 109.29 0.29 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.433 ' HG2' ' C ' ' A' ' 36' ' ' ARG . 51.6 mtt180 44.74 33.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -148.26 119.22 7.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -134.27 140.65 46.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -148.37 149.4 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.61 HD11 HD21 ' A' ' 56' ' ' LEU . 2.1 tt -109.33 119.92 40.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 69' ' ' LEU . 11.4 mt -98.47 151.86 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 51.0 mt -140.8 119.25 8.19 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.617 0.722 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -37.92 8.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.239 . . . . 0.0 112.322 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -134.95 103.84 5.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.849 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -74.94 90.38 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -80.33 156.89 26.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.64 -20.69 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -80.35 -26.4 38.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.94 -12.17 60.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.5 p -69.57 129.26 39.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.51 -152.9 23.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.452 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -110.2 131.63 54.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -107.8 148.15 29.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -141.88 135.27 29.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.9 t -99.8 91.06 4.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.7 ttp85 -65.48 119.94 11.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 87' ' ' VAL . 0.6 OUTLIER -136.6 164.22 28.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.472 ' O ' HG12 ' A' ' 9' ' ' VAL . 12.9 mt-10 -75.85 60.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 177.4 -64.95 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.67 HG21 ' H ' ' A' ' 11' ' ' ILE . 2.1 m -139.75 179.16 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.85 142.03 44.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -105.36 170.76 7.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -142.01 128.04 19.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.441 ' HB3' HD22 ' A' ' 30' ' ' LEU . 87.3 m-85 -129.12 116.74 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -84.18 125.91 7.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 70.0 t -129.33 124.29 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 98.0 m -126.37 100.29 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.849 HG11 ' O ' ' A' ' 72' ' ' ALA . 11.3 t -88.63 98.9 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -91.07 128.54 36.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.75 133.42 73.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.437 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.7 Cg_endo -69.84 91.08 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.8 m -46.25 148.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.22 169.95 39.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 107.78 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.627 2.218 . . . . 0.0 112.37 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 t -64.54 135.33 55.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.9 m -101.78 176.64 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 p -101.81 114.99 29.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.826 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -113.02 148.02 35.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.41 170.34 0.21 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -165.53 137.31 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 t -55.94 128.66 36.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.92 138.77 4.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -50.63 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.277 . . . . 0.0 112.317 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.6 p -163.53 118.78 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.433 ' HD2' HD23 ' A' ' 12' ' ' LEU . 24.0 p-80 -106.75 163.47 12.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.586 HD13 ' CD2' ' A' ' 34' ' ' LEU . 3.1 mm -88.02 147.15 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.433 HD23 ' HD2' ' A' ' 10' ' ' HIS . 6.6 mt -115.97 -32.64 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 36.1 t -157.5 127.1 3.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.8 Cg_endo -69.82 -173.84 8.95 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.317 0.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -99.91 -37.62 8.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.04 -70.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -155.95 142.31 18.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 14' ' ' PRO . 17.7 m -113.38 155.87 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -122.84 129.39 51.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mt -143.55 144.43 31.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -126.86 137.6 53.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -140.28 170.97 14.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.45 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 90.3 m -111.5 142.37 43.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.188 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.7 m -42.52 140.59 1.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.3 m 66.34 48.43 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 23' ' ' THR . 12.1 mm-40 -132.46 178.87 6.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -100.25 122.4 42.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.477 HG23 ' HB2' ' A' ' 72' ' ' ALA . 67.1 t -119.42 112.85 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.1 p -126.64 119.45 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.41 -174.74 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.5 m -155.55 129.41 8.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.7 t -136.44 138.57 41.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -118.69 145.96 45.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.586 ' CD2' HD13 ' A' ' 11' ' ' ILE . 12.4 mt -127.23 174.31 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 p -106.23 29.5 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 13.2 mtt180 -156.14 112.9 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.763 HG22 ' HG3' ' A' ' 63' ' ' ARG . 12.5 t -71.77 150.68 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 53.41 53.29 11.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.814 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 85' ' ' GLU . 17.0 t80 -117.87 136.39 23.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.79 158.2 57.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.47 179.96 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 43' ' ' TRP . 18.1 m -153.38 157.53 40.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.43 ' N ' HG22 ' A' ' 42' ' ' THR . 58.2 m95 -106.95 151.22 25.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 49' ' ' LYS . 87.2 m-85 -143.88 153.56 42.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' GLN . 11.8 tttt -134.26 131.42 38.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 t70 41.63 37.2 0.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.51 33.5 58.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' LYS . 38.1 mt-30 -135.22 121.65 20.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.926 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 13.8 tttp -59.36 137.28 58.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.608 ' HB ' HD13 ' A' ' 56' ' ' LEU . 11.3 m -95.18 159.7 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -120.75 112.27 18.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -52.2 123.19 10.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.2 p -162.74 -175.4 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.12 -24.58 59.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.79 ' O ' HD23 ' A' ' 69' ' ' LEU . 92.1 mt -90.3 -17.06 28.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.608 HD13 ' HB ' ' A' ' 50' ' ' VAL . 5.7 tt -136.43 105.05 5.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.03 140.12 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.7 t -130.21 118.54 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -106.97 169.74 8.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 29.7 ttp -149.82 106.64 3.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -114.81 76.24 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.433 ' HA2' HG13 ' A' ' 37' ' ' VAL . . . 41.03 94.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.763 ' HG3' HG22 ' A' ' 37' ' ' VAL . 61.0 mtm180 63.68 24.98 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -132.49 100.94 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -110.02 106.94 16.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -122.03 140.45 52.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.482 HD23 ' C ' ' A' ' 67' ' ' LEU . 5.2 tt -107.11 117.65 34.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.47 ' N ' HD23 ' A' ' 67' ' ' LEU . 11.4 mt -97.06 151.92 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.79 HD23 ' O ' ' A' ' 55' ' ' LEU . 15.3 mt -140.89 119.18 8.1 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.604 0.716 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -37.93 8.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -125.71 118.08 24.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.477 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -87.07 90.44 8.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.137 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -84.22 145.56 28.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.9 t -44.43 -35.75 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.54 -36.65 84.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -55.71 -25.33 39.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.3 p -63.89 104.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.82 178.92 47.71 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -80.47 129.25 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.389 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -108.61 134.55 51.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -123.74 147.15 47.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.9 t -125.29 98.26 5.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -83.2 121.68 27.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -112.68 -75.59 0.6 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.483 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 33.6 tp10 -123.16 -71.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.59 -8.37 4.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.5 m -120.69 174.21 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 111.105 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.9 149.34 14.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.99 167.1 10.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.093 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -134.97 142.12 46.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.469 ' HA ' HG22 ' A' ' 18' ' ' VAL . 11.7 m-85 -141.77 123.99 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.83 110.53 3.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 61.6 t -108.67 136.87 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 111.116 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.8 m -132.08 110.85 10.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.0 t -101.75 108.53 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -104.37 123.53 47.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -62.87 134.5 95.63 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.45 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.5 Cg_endo -69.79 -171.09 0.44 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 t -128.51 92.24 3.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.42 163.4 36.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 115.01 3.89 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.5 t -132.92 119.22 19.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.7 p -82.23 84.37 7.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.47 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.9 t -58.54 80.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 1' ' ' GLY . 5.1 m -129.36 168.53 16.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.3 51.13 0.32 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -92.14 154.72 18.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 110.878 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -61.17 106.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.41 86.49 1.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.516 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -46.87 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 85' ' ' GLU . 5.4 p -159.01 130.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 35' ' ' SER . 27.5 p-80 -132.26 144.36 50.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.408 HD13 ' HB2' ' A' ' 89' ' ' ALA . 32.9 mt -78.16 134.1 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -98.8 -34.74 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 58.0 p -151.62 138.03 11.62 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.9 Cg_endo -69.75 -168.54 4.46 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.32 -0.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -102.85 -22.39 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 17' ' ' LYS . 4.4 p30 -162.54 159.49 24.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 16' ' ' ASP . 8.5 tttt -34.15 128.88 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.443 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 29.1 m -107.87 169.34 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 t -140.0 128.67 23.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mt -136.28 167.93 20.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m -144.38 135.05 24.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -138.74 173.91 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 24' ' ' THR . 25.6 m -108.99 159.67 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.492 ' N ' HG22 ' A' ' 23' ' ' THR . 89.0 m -63.3 134.88 56.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 t 73.67 46.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -126.67 175.5 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -103.16 102.4 12.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.4 t -96.64 132.73 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.641 HG13 HG13 ' A' ' 68' ' ' ILE . 24.7 t -140.75 120.44 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.9 mt -92.86 -175.41 3.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.3 m -159.21 137.61 10.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.9 t -151.11 136.92 18.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -116.18 145.22 43.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -124.68 -176.01 3.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 60.2 p -106.02 -10.2 16.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' CZ ' ' HA ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -119.66 135.64 54.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.43 ' O ' ' CG ' ' A' ' 38' ' ' ASP . 17.5 t -86.71 152.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 2.9 p30 49.55 25.82 1.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.533 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.0 t80 -77.56 140.67 64.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.81 151.2 68.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -173.11 171.65 4.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.6 m -147.46 138.76 23.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.465 ' O ' HG22 ' A' ' 50' ' ' VAL . 81.5 m95 -90.06 129.98 36.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -124.28 147.37 48.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 48' ' ' GLN . 15.7 tttm -128.59 135.46 49.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 t70 39.76 25.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . 86.42 34.91 11.21 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.52 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 45' ' ' LYS . 11.6 pt20 -140.27 133.16 29.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.926 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -67.2 125.8 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 43' ' ' TRP . 26.2 m -73.37 170.66 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -132.6 103.16 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -49.26 113.35 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 t -152.45 -176.56 5.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.0 -32.74 66.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.5 mt -87.83 -1.31 57.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.877 HD21 HD21 ' A' ' 67' ' ' LEU . 3.4 tt -144.32 106.44 4.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 t -104.33 134.31 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.4 HG22 HD22 ' A' ' 67' ' ' LEU . 12.2 t -124.03 115.36 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -99.52 145.83 27.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.0 ttp -134.44 101.86 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -104.67 61.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.35 -94.95 1.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.99 5.05 23.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 0.0 110.905 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -107.71 123.82 49.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -121.94 125.46 46.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -132.45 145.07 50.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.877 HD21 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -109.16 112.39 24.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.641 HG13 HG13 ' A' ' 29' ' ' VAL . 37.3 mt -97.42 151.41 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.402 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 45.6 mt -140.02 118.78 8.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.575 0.703 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -37.53 9.02 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.701 2.268 . . . . 0.0 112.324 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -133.12 101.53 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.08 106.87 17.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -102.14 170.4 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -57.78 -24.54 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -74.9 -30.84 61.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.98 -21.12 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.5 p -59.25 114.96 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.13 -159.79 26.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' OE2' ' C ' ' A' ' 91' ' ' PHE . 20.5 tp10 -111.9 136.65 50.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -108.52 150.01 28.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -143.73 130.21 20.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.9 t -100.4 74.12 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -58.57 138.95 56.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.769 HG22 ' O ' ' A' ' 87' ' ' VAL . 6.4 t -153.15 168.87 24.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.523 ' O ' HG12 ' A' ' 9' ' ' VAL . 5.4 tt0 -66.19 73.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.79 -73.83 0.22 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.769 ' O ' HG22 ' A' ' 84' ' ' THR . 33.9 m -137.69 -179.63 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 111.115 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.95 158.96 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.408 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -112.26 168.16 9.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -137.61 122.51 18.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.443 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 51.5 m-85 -122.91 114.31 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.34 109.01 3.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.451 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 88.9 t -110.76 146.11 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.2 m -139.05 138.5 37.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.6 t -123.02 99.17 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -95.17 132.74 39.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -75.07 131.59 78.42 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.609 0.719 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.451 ' HD3' HG22 ' A' ' 23' ' ' THR . 53.6 Cg_endo -69.76 101.88 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.712 2.274 . . . . 0.0 112.359 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.2 m -101.26 128.26 47.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 124.16 162.83 11.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.8 Cg_endo -69.74 2.87 3.14 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 101' ' ' PRO . 96.8 p -36.61 -44.36 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.0 t -112.54 158.39 19.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -41.68 125.93 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 0.0 110.821 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -56.95 143.99 35.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.41 133.8 35.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -77.56 -54.44 6.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -124.8 -47.81 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.33 109.07 0.5 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.532 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -49.84 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.36 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 9' ' ' VAL . 11.3 p -104.84 125.08 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.549 ' CE1' ' OG ' ' A' ' 35' ' ' SER . 19.4 p-80 -119.21 133.21 55.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.5 ' CD1' ' C ' ' A' ' 88' ' ' SER . 15.3 mt -72.15 133.9 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.572 HD12 ' HG2' ' A' ' 33' ' ' GLU . 3.2 mt -93.21 -36.86 12.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.562 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 17.5 t -154.06 141.23 13.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.673 0.749 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.7 Cg_endo -69.73 151.79 91.66 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.341 -0.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -69.41 -33.32 72.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -146.34 176.33 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -50.32 143.77 8.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 28.3 m -120.91 174.19 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.415 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 13.7 t -139.83 131.95 28.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' HG ' ' C ' ' A' ' 19' ' ' SER . 4.1 mt -146.72 144.17 29.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 m -125.18 152.09 44.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -155.22 175.87 13.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.483 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 23.5 m -113.49 140.71 47.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.7 m -44.69 140.03 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t 74.17 36.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 23' ' ' THR . 5.4 mm-40 -120.29 179.4 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -106.68 121.86 45.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.566 HG23 ' HB2' ' A' ' 72' ' ' ALA . 62.5 t -117.85 126.63 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.82 HG13 HG13 ' A' ' 68' ' ' ILE . 23.3 t -135.14 113.18 15.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.0 mt -85.23 -175.17 5.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.6 m -160.36 136.94 8.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.3 t -146.69 146.19 30.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.572 ' HG2' HD12 ' A' ' 12' ' ' LEU . 23.1 tt0 -121.87 156.26 33.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.8 mt -129.1 170.16 13.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.549 ' OG ' ' CE1' ' A' ' 10' ' ' HIS . 22.9 t -81.28 -33.96 32.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.586 ' HD2' ' CE2' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -120.27 148.64 43.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.498 HG22 ' HA3' ' A' ' 62' ' ' GLY . 0.5 OUTLIER -86.27 172.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.496 ' H ' HG22 ' A' ' 37' ' ' VAL . 4.3 p-10 47.13 48.43 15.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CE2' ' HD2' ' A' ' 36' ' ' ARG . 2.3 t80 -113.72 138.89 22.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.566 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.73 154.7 67.53 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.73 2.287 . . . . 0.0 112.316 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.25 149.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.4 m -131.99 144.31 50.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.441 ' CG ' HD12 ' A' ' 67' ' ' LEU . 82.6 m95 -90.49 139.16 30.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 92.2 m-85 -132.58 140.19 48.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -123.2 126.28 46.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t0 55.99 30.53 16.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.4 23.22 68.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -129.27 148.36 51.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 33.3 ttpt -70.81 130.59 42.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.3 m -82.02 157.21 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -108.99 125.8 52.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -77.38 114.57 16.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -153.63 -175.95 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -58.53 -35.82 72.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.432 ' O ' HD23 ' A' ' 69' ' ' LEU . 47.5 mt -80.89 -7.9 59.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.554 HD21 HD11 ' A' ' 67' ' ' LEU . 1.5 tt -140.91 105.72 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.6 t -102.06 142.05 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.7 t -130.81 104.53 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -99.41 137.48 37.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.5 ttt -135.94 109.32 7.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.27 59.7 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.498 ' HA3' HG22 ' A' ' 37' ' ' VAL . . . 86.86 -91.14 1.71 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 ptt-85 -109.5 3.15 20.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -109.31 104.72 13.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -106.34 129.08 54.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -142.46 139.6 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.554 HD11 HD21 ' A' ' 56' ' ' LEU . 3.3 tt -107.73 119.51 39.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.82 HG13 HG13 ' A' ' 29' ' ' VAL . 14.5 mt -100.61 150.85 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 55' ' ' LEU . 36.9 mt -138.55 119.09 9.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.578 0.704 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -37.41 9.1 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.688 2.259 . . . . 0.0 112.344 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -134.92 92.45 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -70.23 101.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -93.17 163.98 13.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.7 t -55.72 -32.29 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -68.84 -35.96 77.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -63.21 -22.57 66.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.2 p -63.12 128.34 35.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.54 -175.36 38.12 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -84.65 128.45 34.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -109.41 126.94 53.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -121.58 130.52 53.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 27.2 t -107.56 83.61 1.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 84' ' ' THR . 15.2 ttt180 -85.18 146.54 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -130.45 -77.28 0.53 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.514 ' H ' HG23 ' A' ' 84' ' ' THR . 10.4 mm-40 -115.75 -67.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.45 -4.17 5.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.2 m -130.5 165.07 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.123 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.5 ' C ' ' CD1' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -159.5 166.05 31.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.485 ' O ' ' CD1' ' A' ' 90' ' ' PHE . . . -106.97 -179.98 4.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 89' ' ' ALA . 33.0 m-85 -149.62 134.2 17.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.457 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 36.3 m-85 -142.17 122.09 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.94 113.45 4.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 61.9 t -113.42 133.8 58.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.937 0.398 . . . . 0.0 111.093 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.5 m -126.07 108.76 11.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.2 t -99.52 98.85 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -93.12 124.36 37.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -63.11 137.56 97.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.702 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 151.29 68.99 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.1 p -62.49 120.8 11.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.62 154.35 23.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.8 Cg_endo -69.78 2.7 3.31 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.256 . . . . 0.0 112.327 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 101' ' ' PRO . 2.7 t -36.37 122.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.4 p -157.56 -178.69 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -84.71 89.37 7.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.93 0.395 . . . . 0.0 110.888 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 m -113.26 -51.76 2.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.71 84.23 0.34 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 m -67.37 128.81 37.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.866 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -134.93 102.84 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.03 86.3 1.34 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.6 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.685 2.257 . . . . 0.0 112.358 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.431 HG11 ' CE2' ' A' ' 39' ' ' PHE . 14.8 p -131.97 143.82 39.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -135.05 132.19 37.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.6 mt -67.08 149.36 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.652 HD12 ' HG2' ' A' ' 33' ' ' GLU . 2.9 mt -114.14 -35.24 5.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.515 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 3.2 m -152.66 132.37 7.13 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.819 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.69 -178.55 16.87 Favored 'Cis proline' 0 C--O 1.231 0.144 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.372 -0.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -96.9 -37.03 10.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.25 174.8 10.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -43.33 133.25 4.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.578 HG22 ' HA ' ' A' ' 91' ' ' PHE . 14.5 m -111.87 174.96 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -140.39 127.94 21.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.2 mt -141.24 151.56 43.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -137.92 138.77 39.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CG ' HG22 ' A' ' 28' ' ' VAL . 47.0 m-85 -141.15 170.8 15.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.448 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 59.4 m -106.1 152.95 22.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.8 m -52.14 150.07 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.2 p 56.11 51.69 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -130.47 177.56 7.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.4 ttt-85 -107.65 107.17 17.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.404 HG22 ' CG ' ' A' ' 22' ' ' PHE . 84.4 t -102.05 131.06 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.815 HG22 HG12 ' A' ' 68' ' ' ILE . 51.0 t -136.24 117.67 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.3 mt -86.96 -175.25 5.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.6 m -158.46 134.57 9.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.4 t -149.96 143.08 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.652 ' HG2' HD12 ' A' ' 12' ' ' LEU . 12.0 tt0 -119.45 158.79 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.6 mt -138.32 171.46 14.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.403 ' HB2' HD21 ' A' ' 12' ' ' LEU . 15.1 t -109.56 23.86 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -148.73 111.08 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.443 ' CG2' ' HG3' ' A' ' 63' ' ' ARG . 54.9 t -70.06 146.54 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t70 60.91 39.84 16.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.431 ' CE2' HG11 ' A' ' 9' ' ' VAL . 2.0 t80 -106.92 124.24 36.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.671 0.748 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 168.51 21.38 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.222 . . . . 0.0 112.352 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -171.63 -178.48 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.2 m -146.52 140.74 26.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.566 ' O ' HG22 ' A' ' 50' ' ' VAL . 81.0 m95 -98.08 123.82 42.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.506 ' CE2' ' HB2' ' A' ' 49' ' ' LYS . 71.3 m-85 -115.25 143.76 44.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -131.0 129.24 41.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 47.64 40.65 12.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.38 35.51 87.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -149.58 116.57 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 29.3 ttpt -51.94 131.52 31.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 43' ' ' TRP . 18.0 m -78.89 169.04 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -131.88 101.04 5.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -40.13 134.27 1.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -162.3 -176.21 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -56.21 -37.43 69.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.549 ' O ' HD23 ' A' ' 69' ' ' LEU . 19.6 mt -90.07 -7.05 54.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -129.52 101.74 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 t -103.15 134.77 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.1 t -128.06 113.72 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -102.04 154.0 19.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.482 ' HG2' ' N ' ' A' ' 61' ' ' ASP . 2.7 ttt -131.85 148.97 52.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.482 ' N ' ' HG2' ' A' ' 60' ' ' MET . 1.3 m-20 -159.73 154.2 23.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -40.23 106.84 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.443 ' HG3' ' CG2' ' A' ' 37' ' ' VAL . 96.8 mtt180 53.92 42.19 31.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -155.58 121.28 5.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -133.57 120.11 20.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 ptt-85 -134.54 153.0 52.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 68' ' ' ILE . 2.7 tt -115.83 139.32 50.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.815 HG12 HG22 ' A' ' 29' ' ' VAL . 20.1 mt -120.65 153.1 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 55' ' ' LEU . 66.5 mt -140.44 118.18 8.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.571 0.701 . . . . 0.0 110.945 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -38.99 7.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -128.51 92.69 3.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.438 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -79.4 90.49 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -83.82 171.94 12.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.6 t -53.32 -38.75 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -63.87 -42.45 97.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.5 -30.22 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.2 p -57.94 135.87 56.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.3 172.84 23.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -78.31 128.28 33.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -107.4 126.94 53.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -119.09 148.59 42.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.5 t -123.09 80.54 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -76.88 108.13 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.88 -75.63 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.401 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 2.7 tp10 -128.43 -49.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.23 -29.17 0.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.5 m -113.4 175.75 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.33 163.48 30.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.21 130.59 56.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -99.42 125.14 45.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.578 ' HA ' HG22 ' A' ' 18' ' ' VAL . 50.4 m-85 -124.57 112.66 17.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.97 109.19 3.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.8 t -109.48 149.5 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 111.154 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.9 m -145.55 116.39 7.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.438 HG11 ' O ' ' A' ' 72' ' ' ALA . 43.7 t -101.59 108.24 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -101.32 133.96 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -75.38 131.42 77.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.448 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.3 Cg_endo -69.75 148.55 65.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.9 m -51.66 139.82 20.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.33 169.37 28.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 136.15 32.22 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.332 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.8 p -144.31 127.71 16.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.0 p 44.58 42.35 5.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 m -136.91 117.89 14.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.2 t -49.81 162.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.04 -149.99 6.03 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.427 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -75.21 94.84 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -160.94 162.74 32.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.84 153.27 2.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.499 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 53.8 Cg_endo -69.7 -49.42 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.71 2.273 . . . . 0.0 112.364 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 85' ' ' GLU . 4.3 p -146.29 131.6 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.522 ' CE1' ' OG ' ' A' ' 35' ' ' SER . 26.0 p-80 -130.63 131.66 45.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.577 ' CD1' HG23 ' A' ' 87' ' ' VAL . 51.4 mt -73.62 129.26 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.459 HD12 ' HG2' ' A' ' 33' ' ' GLU . 5.5 mt -89.26 -27.5 20.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.519 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 19.1 t -162.49 132.19 3.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.678 0.751 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.6 Cg_endo -69.78 -168.99 4.77 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.364 -0.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -114.97 -34.07 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -134.34 -70.95 0.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -159.87 142.2 13.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 91' ' ' PHE . 29.6 m -116.57 176.11 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.5 t -142.24 135.28 28.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 mt -144.34 155.04 43.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.3 m -136.73 138.91 41.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CG ' HG22 ' A' ' 28' ' ' VAL . 62.4 m-85 -145.84 164.15 32.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.9 m -102.83 150.59 23.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.151 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.5 m -54.87 141.55 32.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.196 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 m 69.63 48.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -140.17 175.02 9.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -97.5 123.71 41.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.618 HG22 ' CG ' ' A' ' 22' ' ' PHE . 67.1 t -125.19 118.27 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.417 ' CG2' ' HE ' ' A' ' 66' ' ' ARG . 1.4 p -130.41 125.47 59.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.566 HD21 ' CG2' ' A' ' 93' ' ' VAL . 65.8 mt -86.39 -170.72 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.404 ' OG1' ' NH2' ' A' ' 66' ' ' ARG . 1.2 m -156.48 130.55 8.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -143.51 133.65 24.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.459 ' HG2' HD12 ' A' ' 12' ' ' LEU . 23.0 tt0 -110.74 154.6 23.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.444 HD12 ' CD2' ' A' ' 65' ' ' HIS . 67.9 mt -135.28 171.17 14.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.522 ' OG ' ' CE1' ' A' ' 10' ' ' HIS . 23.2 t -100.57 -3.26 30.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 8' ' ' PRO . 18.3 mtt180 -121.36 134.46 55.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.424 HG23 ' NE ' ' A' ' 63' ' ' ARG . 19.3 t -89.68 145.99 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t70 53.12 51.45 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.527 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 4.5 t80 -111.31 140.42 22.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.667 0.746 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.67 159.2 54.38 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.73 2.286 . . . . 0.0 112.367 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -171.26 160.22 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.035 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.42 HG22 ' CE1' ' A' ' 44' ' ' TYR . 82.1 m -137.04 124.21 21.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -78.17 151.31 33.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.518 ' CE2' ' HB2' ' A' ' 49' ' ' LYS . 73.9 m-85 -142.13 157.77 44.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 48' ' ' GLN . 17.7 tttm -133.4 133.61 42.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 41.31 25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . 88.88 31.88 11.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 45' ' ' LYS . 6.5 pt20 -144.4 122.17 11.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.931 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.518 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -47.57 147.82 1.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.4 m -101.29 145.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -102.54 104.54 14.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' HA ' HD22 ' A' ' 56' ' ' LEU . 1.6 mp0 -52.31 125.34 15.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 t -155.33 -176.46 5.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.82 -29.84 60.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.533 ' O ' HD23 ' A' ' 69' ' ' LEU . 48.4 mt -90.9 -7.76 51.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 52' ' ' GLU . 5.8 tt -134.47 103.93 5.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 t -105.38 128.24 59.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.9 t -118.1 117.69 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -99.63 142.4 31.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.518 ' HG3' ' CE1' ' A' ' 65' ' ' HIS . 1.6 ttt -130.46 106.06 8.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.85 103.41 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 41.7 -120.04 1.94 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.424 ' NE ' HG23 ' A' ' 37' ' ' VAL . 75.3 mtt180 -87.98 40.73 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 110.853 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -143.33 124.06 14.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.518 ' CE1' ' HG3' ' A' ' 60' ' ' MET . 25.4 m-70 -138.84 117.11 11.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.455 ' NE ' ' O ' ' A' ' 30' ' ' LEU . 5.2 ptm180 -133.04 170.7 14.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.444 HD21 ' HG ' ' A' ' 56' ' ' LEU . 5.6 tt -126.2 116.38 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.6 mt -96.43 148.46 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.058 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 55' ' ' LEU . 53.9 mt -136.51 119.24 11.9 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.64 0.733 . . . . 0.0 110.95 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -36.48 10.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.739 2.293 . . . . 0.0 112.336 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -132.28 111.59 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.79 97.32 9.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -90.83 154.29 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.4 t -55.28 -17.7 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -83.39 -22.91 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.66 -14.15 59.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.407 ' CB ' ' H ' ' A' ' 95' ' ' VAL . 43.7 p -68.12 102.21 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.63 -157.51 12.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -111.6 129.45 56.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.886 0.375 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -106.34 148.93 27.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -141.08 132.71 27.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.1 t -102.54 79.39 1.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -61.54 142.35 57.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.795 HG22 ' O ' ' A' ' 87' ' ' VAL . 13.5 t -156.36 165.12 37.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.481 ' O ' HG12 ' A' ' 9' ' ' VAL . 4.6 tp10 -62.64 76.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 84' ' ' THR . . . 153.71 -72.69 0.26 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.795 ' O ' HG22 ' A' ' 84' ' ' THR . 20.1 m -138.14 -179.06 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.39 149.73 38.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.511 ' HB2' HD13 ' A' ' 11' ' ' ILE . . . -102.39 165.97 10.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -133.75 134.03 42.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.494 ' HA ' HG22 ' A' ' 18' ' ' VAL . 83.5 m-85 -133.37 137.56 45.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -109.39 111.8 3.27 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.566 ' CG2' HD21 ' A' ' 30' ' ' LEU . 62.9 t -116.36 130.74 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 111.17 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 54.8 m -127.01 119.67 27.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.407 ' H ' ' CB ' ' A' ' 77' ' ' SER . 13.9 t -103.7 104.2 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -98.66 114.26 26.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -58.3 137.64 84.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.67 3.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.7 p -146.99 134.57 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.43 169.89 35.98 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 125.36 12.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.296 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.6 p -174.6 128.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.7 p -112.47 85.38 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.479 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 p -104.16 91.41 3.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.837 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 p -139.13 175.72 9.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.81 74.43 0.39 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.551 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -67.48 158.25 32.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.868 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -69.23 147.78 50.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.34 121.67 0.34 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.14 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.396 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.44 ' CG1' ' HB3' ' A' ' 85' ' ' GLU . 7.7 p -160.38 126.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -119.89 160.26 23.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.8 mt -85.16 143.21 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.115 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.485 HD12 ' OE1' ' A' ' 33' ' ' GLU . 7.8 mt -110.13 -33.16 6.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.529 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 60.2 p -147.43 131.94 8.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.658 0.742 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.4 Cg_endo -69.8 -171.47 6.69 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.36 -0.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -103.9 -34.91 8.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' LYS . 33.5 m-20 -146.27 161.98 39.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' ASP . 28.9 tttt -34.58 129.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 91' ' ' PHE . 16.5 m -107.83 170.98 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.0 p -145.79 113.43 6.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mt -125.7 149.81 48.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.0 m -130.14 144.69 51.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CG ' HG22 ' A' ' 28' ' ' VAL . 95.5 m-85 -146.77 169.23 19.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.442 ' CG2' ' HD3' ' A' ' 98' ' ' PRO . 41.9 m -105.02 153.54 21.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 23' ' ' THR . 92.8 m -54.68 147.84 13.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 p 61.01 47.99 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.811 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -132.46 169.19 16.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -98.28 116.92 31.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.404 HG22 ' CG ' ' A' ' 22' ' ' PHE . 92.9 t -114.24 128.6 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.827 HG13 HG13 ' A' ' 68' ' ' ILE . 24.2 t -135.19 119.26 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.7 mt -85.41 -175.07 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.9 m -156.87 137.22 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 49.6 t -152.63 146.34 25.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.485 ' OE1' HD12 ' A' ' 12' ' ' LEU . 39.0 tt0 -122.21 156.61 33.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.458 HD21 HG21 ' A' ' 84' ' ' THR . 64.5 mt -133.92 173.73 11.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.478 ' OG ' HD21 ' A' ' 12' ' ' LEU . 1.8 m -105.96 24.84 11.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.462 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 25.9 mtp85 -152.61 132.61 13.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.9 t -82.59 150.35 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 46.59 46.32 14.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.517 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 18.8 t80 -100.2 139.22 20.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.81 146.14 58.98 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.334 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.96 164.31 20.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.8 m -147.74 143.92 27.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.439 ' HB2' HG21 ' A' ' 50' ' ' VAL . 60.5 m95 -92.97 153.91 18.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.56 ' CD2' ' HA ' ' A' ' 49' ' ' LYS . 87.4 m-85 -144.94 134.88 23.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.96 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -116.14 127.7 55.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.4 t0 52.03 41.05 29.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.61 39.59 98.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' LYS . 31.5 mt-30 -149.02 119.67 7.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 22.7 tttp -37.28 143.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 43' ' ' TRP . 33.2 m -87.84 146.96 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -96.22 100.86 12.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -58.76 114.59 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.8 p -161.16 176.61 11.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.52 -39.2 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.484 ' O ' HD23 ' A' ' 69' ' ' LEU . 87.6 mt -69.35 -22.9 63.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.47 ' HG ' HD21 ' A' ' 67' ' ' LEU . 8.5 tt -129.07 106.27 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.7 t -102.01 125.8 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.4 t -112.74 120.08 61.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' HA ' ' NZ ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -100.48 150.14 22.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.7 ttp -139.47 109.25 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.86 100.83 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 43.79 -113.3 0.72 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.463 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -97.5 45.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -150.94 118.64 6.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -125.48 109.61 12.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -120.93 152.38 38.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.47 HD21 ' HG ' ' A' ' 56' ' ' LEU . 4.8 tt -114.8 123.3 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.827 HG13 HG13 ' A' ' 29' ' ' VAL . 12.5 mt -102.8 153.17 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 55' ' ' LEU . 37.8 mt -139.49 118.97 9.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.631 0.729 . . . . 0.0 110.97 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -37.36 9.35 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.355 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -128.33 112.24 14.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.402 ' O ' HG11 ' A' ' 95' ' ' VAL . . . -82.7 79.09 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.5 ptmm? -82.06 147.55 29.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.3 t -44.73 -27.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -74.17 -37.44 63.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 73' ' ' LYS . 33.7 m-20 -52.45 -31.98 37.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.9 p -57.59 141.69 47.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.74 173.35 20.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -77.3 125.56 29.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -107.4 125.5 51.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -113.31 131.25 56.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.8 t -109.71 85.81 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -77.57 128.49 34.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.458 HG21 HD21 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -115.91 -74.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.487 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 3.9 tp10 -120.43 -60.1 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -131.51 -25.89 0.76 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.7 m -113.43 177.79 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.136 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.48 159.08 27.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -106.18 137.41 44.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -107.56 120.56 42.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.521 ' HA ' HG22 ' A' ' 18' ' ' VAL . 72.1 m-85 -115.06 113.7 24.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.38 101.17 2.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 98.4 t -100.51 147.04 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 93.3 m -140.5 114.07 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.402 HG11 ' O ' ' A' ' 72' ' ' ALA . 39.4 t -102.12 116.72 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -110.04 137.56 47.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -77.81 134.97 64.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.709 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.442 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.3 Cg_endo -69.85 140.16 41.66 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.238 . . . . 0.0 112.325 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 93.5 p -87.83 44.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -91.01 145.88 18.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -12.23 32.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.345 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.2 m -70.03 169.33 13.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.8 m -125.21 155.81 39.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.845 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -90.89 -47.5 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 p -71.15 91.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.82 73.52 0.73 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 m -76.11 177.02 7.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -125.92 88.7 2.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.89 124.46 1.81 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.536 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.417 HG11 ' CE2' ' A' ' 39' ' ' PHE . 8.4 p -145.77 146.31 19.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -147.9 128.04 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.513 ' CD1' ' C ' ' A' ' 88' ' ' SER . 20.3 mt -63.52 142.87 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.566 HD21 ' OG ' ' A' ' 35' ' ' SER . 7.0 mt -107.63 -34.54 6.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 14' ' ' PRO . 46.4 t -153.53 134.74 8.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.895 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 13' ' ' SER . 53.2 Cg_endo -69.76 167.71 70.08 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.34 -0.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -85.64 -34.8 21.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.17 174.34 12.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.5 tptt -45.57 130.96 8.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 91' ' ' PHE . 16.2 m -109.55 178.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.9 p -143.32 119.14 10.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mt -137.08 149.86 47.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -134.89 146.83 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -142.86 175.62 9.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 55.8 m -111.28 142.47 43.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.4 m -46.24 147.22 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.9 m 61.95 50.18 4.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 23' ' ' THR . 28.7 mm-40 -136.92 167.49 21.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -94.1 120.24 34.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.479 HG23 ' HB2' ' A' ' 72' ' ' ALA . 98.3 t -114.77 117.31 55.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -129.57 107.64 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.7 mt -79.53 -175.92 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.1 m -151.88 139.05 19.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.0 t -146.07 146.08 30.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -124.56 153.12 42.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.6 mt -135.8 -178.64 5.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.566 ' OG ' HD21 ' A' ' 12' ' ' LEU . 1.7 m -109.25 -4.01 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -117.3 134.56 54.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.5 t -83.58 141.92 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t0 53.66 28.44 8.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.437 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 3.1 t80 -77.97 134.57 63.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.79 142.7 48.5 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.06 173.38 17.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.7 m -154.49 137.69 15.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -84.51 156.93 21.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.558 ' HA ' HG13 ' A' ' 50' ' ' VAL . 93.2 m-85 -150.99 154.88 37.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' GLN . 19.2 tttt -130.48 144.32 51.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 40.18 24.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . 83.99 35.63 15.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 45' ' ' LYS . 7.5 pt20 -142.11 161.57 37.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.908 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.496 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 30.5 tttt -75.15 127.94 34.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.558 HG13 ' HA ' ' A' ' 44' ' ' TYR . 17.6 m -79.04 137.75 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -77.81 126.8 31.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -88.39 112.82 23.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 t -158.74 -174.96 5.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -55.02 -37.93 67.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.718 ' O ' HD23 ' A' ' 69' ' ' LEU . 87.3 mt -74.15 -18.59 60.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 tt -132.19 103.8 6.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.4 t -102.06 129.67 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.9 t -119.71 111.24 32.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -99.67 145.63 27.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 ttt -136.7 113.23 10.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -127.92 120.82 28.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 39.61 -114.01 0.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.463 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.67 43.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.384 . . . . 0.0 110.857 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -146.79 116.79 7.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -116.08 138.94 50.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 ptt-85 -148.18 141.82 25.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.569 HD23 ' N ' ' A' ' 68' ' ' ILE . 3.9 tt -106.03 122.07 45.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.569 ' N ' HD23 ' A' ' 67' ' ' LEU . 18.2 mt -100.42 148.67 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 55' ' ' LEU . 10.6 mt -137.05 119.53 11.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.902 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -36.18 11.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -140.92 105.73 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.479 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -78.01 97.07 5.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -85.58 160.95 19.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.7 t -55.28 -27.45 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -71.6 -38.49 70.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.12 -10.23 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -69.13 102.07 1.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.09 -171.06 39.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -92.68 137.04 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -114.32 139.42 49.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 89' ' ' ALA . 5.1 tt0 -129.53 144.13 51.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.4 t -117.89 82.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 84' ' ' THR . 19.1 ttt180 -83.96 146.55 27.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.59 HG23 ' H ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -131.83 -75.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.59 ' H ' HG23 ' A' ' 84' ' ' THR . 7.3 mt-10 -116.9 -66.48 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.59 -11.93 2.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.4 m -121.43 161.23 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.513 ' C ' ' CD1' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -153.09 167.89 27.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 81' ' ' GLU . . . -107.16 179.41 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.144 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -150.51 133.98 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.466 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 68.0 m-85 -140.93 130.7 24.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.01 90.95 1.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.4 t -93.87 133.47 34.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 111.148 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.1 m -136.99 124.21 21.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.3 t -105.58 129.3 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -124.83 113.96 18.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -60.63 133.82 91.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.623 0.725 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.426 ' HD3' ' CG2' ' A' ' 23' ' ' THR . 53.1 Cg_endo -69.76 -173.52 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.1 m -126.27 82.7 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -64.52 -173.08 3.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -36.41 10.89 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.4 m -133.03 144.1 49.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.3 p -73.06 138.55 45.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.995 . . . . . . . . 0 0 . 1 stop_ save_