data_2eqj_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 2eqj _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 pttp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -53.1 174.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.445 ' C ' ' OE1' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -132.42 147.49 52.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -82.52 121.18 26.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.34 16.88 48.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -96.52 123.59 40.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.26 121.7 19.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.0 m -141.26 173.95 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.0 mt -103.25 113.66 27.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.47 ' CB ' HG22 ' A' ' 56' ' ' VAL . . . -101.92 144.16 30.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -90.96 113.61 25.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -70.21 172.1 8.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -56.48 -30.52 63.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -61.65 -34.48 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.36 -13.0 12.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.53 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.0 mt -89.35 156.32 18.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.847 0.356 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 25.0 m-85 -95.01 138.21 33.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -128.98 160.47 32.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 tt -79.01 135.64 36.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.21 165.89 35.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.1 m -116.02 130.83 56.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.689 0.281 . . . . 0.0 111.186 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.77 128.05 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.456 ' HD2' ' CD1' ' A' ' 47' ' ' ILE . 8.6 mmpt? -116.16 -37.45 3.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.43 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 20.7 mtmt -143.08 160.15 40.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.2 mt -137.46 108.44 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -99.57 117.18 33.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.1 mt -81.67 -35.18 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.21 -43.72 95.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -97.71 -4.55 37.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 56.84 43.43 24.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.1 p -129.5 179.16 5.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.548 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 25.5 m -151.52 128.03 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.81 97.18 4.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.454 HG21 ' N ' ' A' ' 47' ' ' ILE . 21.5 mt -107.82 145.18 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.456 ' CD1' ' HD2' ' A' ' 35' ' ' LYS . 9.9 mt -105.93 111.66 35.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 51' ' ' SER . 75.0 m-85 -74.92 152.85 38.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -45.68 -21.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' PHE . 55.9 m-20 -81.11 14.99 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' PHE . 14.0 m 55.74 25.71 8.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.4 m -105.3 126.56 52.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.472 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.8 mtpt -96.09 127.44 42.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -146.92 132.89 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -73.81 102.01 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.47 HG22 ' CB ' ' A' ' 22' ' ' ALA . 11.2 t -88.69 144.85 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.5 141.33 41.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 44.2 m0 -48.77 -30.35 5.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 pttm -82.88 -24.38 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -89.83 -12.7 38.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.438 HG13 ' CG1' ' A' ' 56' ' ' VAL . 14.6 mt -91.43 109.75 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.439 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.7 tt0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 14' ' ' PHE . 21.7 pttp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.536 ' CE1' HG23 ' A' ' 61' ' ' ILE . 67.4 m-85 -48.58 172.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -125.86 142.95 51.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -73.08 129.87 39.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.32 27.53 55.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -102.47 121.55 42.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.02 116.67 12.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -136.88 179.7 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.9 mt -109.46 112.46 24.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.468 ' CB ' HG22 ' A' ' 56' ' ' VAL . . . -100.56 144.13 29.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -91.17 112.87 24.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.32 171.91 9.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t -55.36 -30.91 61.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.12 -27.28 69.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.44 -13.91 30.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.8 mt -86.68 155.71 20.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.5 m-85 -95.76 138.48 33.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -129.53 159.21 37.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.3 tt -77.86 133.49 38.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.82 164.83 33.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.442 ' N ' HG22 ' A' ' 46' ' ' ILE . 61.3 m -115.97 130.4 56.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.32 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 35' ' ' LYS . 80.5 mt -64.79 134.58 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' N ' HG23 ' A' ' 34' ' ' ILE . 7.2 mmpt? -124.02 -30.8 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -149.27 153.04 36.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.7 mt -130.11 116.79 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -109.32 124.15 50.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.0 mt -89.02 -37.33 9.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.9 mt -55.03 -41.78 71.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -102.75 -4.4 25.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 57.45 47.0 17.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.4 p -132.84 179.07 6.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.507 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 15.4 m -151.87 129.43 11.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.502 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.61 96.51 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 33' ' ' THR . 35.0 mt -107.29 146.15 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mt -105.39 110.26 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 51' ' ' SER . 84.7 m-85 -73.97 152.92 39.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -45.07 -21.8 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 48' ' ' PHE . 1.7 m-20 -81.52 15.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' PHE . 10.7 m 54.56 25.05 5.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 m -104.53 127.03 52.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.502 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.7 mtpt -96.21 127.87 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -148.59 131.79 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -71.9 102.24 2.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.468 HG22 ' CB ' ' A' ' 22' ' ' ALA . 3.4 t -91.17 137.68 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.83 143.78 56.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.507 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 45.0 m0 -49.58 -32.31 12.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.84 -26.58 44.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -85.4 -18.03 34.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.536 HG23 ' CE1' ' A' ' 14' ' ' PHE . 15.3 mt -88.15 106.75 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.459 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 6.8 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.0 pttt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.81 0.338 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.54 ' CE1' HG23 ' A' ' 61' ' ' ILE . 63.9 m-85 -58.95 167.47 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -119.33 141.39 49.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -71.94 130.53 41.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.94 32.55 56.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -107.75 123.31 48.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.736 0.303 . . . . 0.0 110.966 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.16 118.93 12.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.83 169.19 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.8 mt -98.55 112.11 24.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.514 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . . . -101.58 140.05 36.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.458 ' NE ' ' O ' ' A' ' 27' ' ' GLY . 9.9 ttt180 -89.06 114.14 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -70.57 172.78 7.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.2 m -55.98 -32.63 64.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.58 -34.3 72.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.458 ' O ' ' NE ' ' A' ' 23' ' ' ARG . . . 118.05 -12.87 12.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.4 mt -88.56 155.47 19.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -96.13 135.17 38.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -125.95 162.11 25.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 32' ' ' GLY . 5.7 tt -79.5 134.05 36.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.423 ' N ' HD22 ' A' ' 31' ' ' LEU . . . -158.09 169.86 34.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.464 ' N ' HG22 ' A' ' 46' ' ' ILE . 72.1 m -120.13 131.84 55.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.754 0.312 . . . . 0.0 111.121 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.422 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 73.0 mt -64.63 128.44 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.08 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 7.9 mmmt -116.83 -35.98 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -145.26 155.28 43.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mt -131.75 115.46 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -105.9 126.68 52.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.4 mt -90.37 -36.45 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mt -60.23 -43.61 95.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -96.94 -4.76 39.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 56.22 41.56 29.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.4 p -128.81 179.63 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.537 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 17.7 m -151.83 128.45 10.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.9 t80 -76.68 97.5 4.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 33' ' ' THR . 19.7 mt -107.71 147.61 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mt -106.42 113.14 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 22' ' ' ALA . 66.2 m-85 -77.29 153.09 34.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.55 -21.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' PHE . 14.7 t0 -81.73 16.98 1.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' PHE . 79.9 p 53.42 26.19 5.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.2 m -105.55 125.63 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 6.0 mtpt -95.78 126.73 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -146.68 136.63 23.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -75.17 102.05 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.467 HG21 ' CB ' ' A' ' 22' ' ' ALA . 5.9 t -89.53 139.83 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.2 mt -70.39 144.68 51.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.537 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 42.4 m0 -51.68 -27.43 11.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -84.96 -25.88 27.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -87.34 -12.46 46.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.54 HG23 ' CE1' ' A' ' 14' ' ' PHE . 13.2 mt -92.02 109.98 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.948 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.79 0.329 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.501 ' CE1' HG21 ' A' ' 61' ' ' ILE . 65.0 m-85 -69.18 172.2 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -126.85 146.25 50.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -75.98 131.67 39.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.839 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.71 27.46 60.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.532 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -102.77 120.22 40.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 118.57 12.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.4 m -139.13 175.41 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.6 mt -104.24 113.62 27.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.488 ' HB1' ' CE2' ' A' ' 48' ' ' PHE . . . -102.14 139.97 37.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -88.18 113.57 23.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -70.09 172.48 7.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -58.41 -28.01 64.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -31.27 72.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.828 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.82 -13.01 17.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.524 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 mt -90.63 155.35 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.464 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 20.6 m-85 -94.07 140.04 30.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.402 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 58.7 m-85 -130.43 157.71 41.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.408 HD21 ' N ' ' A' ' 32' ' ' GLY . 4.5 tt -78.11 132.31 37.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.408 ' N ' HD21 ' A' ' 31' ' ' LEU . . . -156.53 166.29 33.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.523 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.42 ' N ' HG22 ' A' ' 46' ' ' ILE . 89.5 m -115.37 131.08 57.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.743 0.306 . . . . 0.0 111.165 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.7 mt -64.57 128.67 27.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -116.78 -37.64 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -143.94 152.5 41.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.6 mt -129.3 115.95 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -108.11 122.85 47.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.6 mt -86.77 -37.56 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.36 -44.77 76.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -99.89 -1.0 38.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 53.94 44.29 29.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.7 p -128.37 178.96 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.544 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 10.8 m -152.43 127.73 9.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.502 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.6 t80 -76.67 95.64 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 33' ' ' THR . 22.9 mt -106.63 145.74 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 mt -104.63 110.07 29.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.488 ' CE2' ' HB1' ' A' ' 22' ' ' ALA . 71.0 m-85 -73.29 153.19 40.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -45.85 -21.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 48' ' ' PHE . 2.0 m-20 -81.71 16.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 48' ' ' PHE . 8.6 m 54.33 26.34 6.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.5 m -106.51 127.12 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.502 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.6 mtpt -96.03 128.75 43.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -149.33 133.51 17.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -72.73 101.82 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.468 HG22 ' CB ' ' A' ' 22' ' ' ALA . 9.0 t -89.2 140.28 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.9 mt -71.43 141.27 50.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.544 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 42.7 m0 -48.75 -31.78 7.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -80.59 -23.94 39.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -90.25 -13.08 36.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.501 HG21 ' CE1' ' A' ' 14' ' ' PHE . 12.6 mt -90.23 107.04 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.464 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 12.1 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HE2' ' CE1' ' A' ' 14' ' ' PHE . 14.4 pttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.811 0.339 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.482 ' CE2' HG23 ' A' ' 61' ' ' ILE . 65.0 m-85 -57.99 173.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -121.31 149.49 42.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -78.97 125.74 29.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.13 27.18 45.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -105.01 123.8 48.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -70.71 131.62 44.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -151.58 172.76 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.6 mt -101.99 111.97 24.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.469 ' CB ' HG22 ' A' ' 56' ' ' VAL . . . -100.38 140.04 35.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.072 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.465 ' HG3' ' CE1' ' A' ' 29' ' ' PHE . 13.5 ttp180 -88.95 113.83 24.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -70.27 172.15 8.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -56.0 -32.23 63.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.03 -27.92 68.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.9 -13.75 26.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.7 mt -87.29 156.75 19.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.465 ' CE1' ' HG3' ' A' ' 23' ' ' ARG . 22.7 m-85 -98.03 137.08 37.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -127.24 162.79 25.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.7 tt -80.09 135.4 36.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.87 169.76 35.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.451 ' N ' HG21 ' A' ' 46' ' ' ILE . 51.7 m -120.82 129.96 53.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.743 0.306 . . . . 0.0 111.172 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.2 mt -63.7 125.88 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -113.55 -38.79 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.41 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 34.7 mtmt -142.81 163.38 32.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.4 mt -139.44 113.06 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -103.15 110.16 22.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.4 mt -72.28 -39.92 64.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mt -58.88 -44.73 91.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -92.87 -3.74 54.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 53.49 41.48 32.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.1 p -131.62 177.59 7.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.497 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 15.2 m -147.38 130.15 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.44 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.6 t80 -76.66 95.71 4.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.451 HG21 ' N ' ' A' ' 33' ' ' THR . 25.6 mt -106.48 147.08 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.186 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 mt -107.52 108.27 24.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' SER . 88.5 m-85 -71.3 151.9 43.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -44.88 -22.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' PHE . 4.6 m-20 -81.04 15.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' PHE . 19.1 p 55.84 25.04 8.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.1 m -104.0 126.54 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.44 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.29 128.61 43.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -149.59 136.14 19.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -75.71 101.48 5.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.469 HG22 ' CB ' ' A' ' 22' ' ' ALA . 3.2 t -88.79 139.27 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.446 ' CD1' ' HE2' ' A' ' 59' ' ' LYS . 76.3 mt -67.44 143.01 56.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.497 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 37.1 m0 -50.46 -30.07 11.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.446 ' HE2' ' CD1' ' A' ' 57' ' ' LEU . 22.8 pttt -82.35 -22.91 35.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -88.34 -18.6 28.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.482 HG23 ' CE2' ' A' ' 14' ' ' PHE . 21.7 mt -86.05 108.84 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HE2' ' CE2' ' A' ' 14' ' ' PHE . 19.7 pttm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.81 0.338 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CE1' HG21 ' A' ' 61' ' ' ILE . 66.7 m-85 -71.32 171.01 11.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -127.78 145.92 50.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -76.51 130.05 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.97 29.11 55.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -106.07 119.37 39.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -69.21 120.73 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.3 m -138.82 178.77 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.5 mt -107.64 112.11 24.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -100.85 143.93 30.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -91.4 112.7 24.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -70.18 173.73 6.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 p -57.97 -31.18 66.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -62.26 -26.48 68.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.24 -10.03 33.52 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 mt -90.6 157.04 17.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.406 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 25.7 m-85 -98.01 135.54 39.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -125.61 162.45 24.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 tt -81.26 133.21 35.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.95 170.38 34.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.442 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.403 ' N ' HG21 ' A' ' 46' ' ' ILE . 97.0 m -119.98 132.16 55.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.7 0.286 . . . . 0.0 111.137 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.56 126.35 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HD2' ' CD1' ' A' ' 47' ' ' ILE . 8.1 mmpt? -113.89 -36.94 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 35.9 mtmt -144.88 161.36 39.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.5 mt -136.13 108.8 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -99.9 120.07 39.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.4 mt -84.59 -37.4 12.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.91 -49.79 74.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -91.98 -4.31 54.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 57.02 45.15 21.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.6 p -132.73 177.83 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.485 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 19.7 m -148.12 130.25 15.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.4 t80 -77.61 95.21 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 33' ' ' THR . 20.1 mt -106.4 146.11 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.468 ' CD1' ' HD2' ' A' ' 35' ' ' LYS . 9.9 mt -106.54 110.11 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 22' ' ' ALA . 81.8 m-85 -72.45 158.7 35.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -50.27 -23.55 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.2 p30 -78.95 11.14 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.1 p 59.37 27.12 16.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -106.74 127.95 53.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.483 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 6.1 mtpt -96.06 127.29 41.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -147.19 130.07 16.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -71.04 101.51 2.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.464 HG22 ' CB ' ' A' ' 22' ' ' ALA . 11.0 t -88.78 138.01 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.13 142.61 57.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.485 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 38.1 m0 -49.95 -21.99 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -29.51 18.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -82.09 -13.35 57.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.454 HG21 ' CE1' ' A' ' 14' ' ' PHE . 11.2 mt -89.95 111.44 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.406 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 6.0 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.837 0.351 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -54.51 170.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -127.95 146.15 50.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -78.22 129.28 34.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.08 23.8 60.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -98.98 123.52 43.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -72.07 121.82 19.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.5 m -142.31 -178.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.2 mt -110.1 112.57 24.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . . . -100.81 140.12 35.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -88.36 113.57 24.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -70.34 172.33 8.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.2 m -55.61 -35.27 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -29.99 64.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.51 -12.46 23.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 mt -89.34 157.27 18.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.817 0.341 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 22.4 m-85 -94.96 143.24 26.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -133.45 160.72 36.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 tt -79.43 130.38 35.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.85 165.16 32.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.418 ' N ' HG23 ' A' ' 46' ' ' ILE . 99.6 m -117.07 129.88 56.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.334 . . . . 0.0 111.12 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.28 131.49 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.446 ' CD ' HD11 ' A' ' 47' ' ' ILE . 6.0 mmpt? -120.73 -32.6 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 23.2 mtmm -146.81 158.91 44.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.6 mt -134.33 114.42 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 40' ' ' LEU . 43.6 t-20 -105.95 125.58 51.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.4 mt -90.4 -33.66 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.408 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 7.0 mt -60.9 -42.41 97.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -101.9 0.95 36.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 51.35 45.08 28.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.6 p -130.25 176.54 8.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.523 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 26.3 m -148.08 128.99 14.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.479 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.7 t80 -76.64 96.43 4.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 33' ' ' THR . 18.0 mt -107.88 140.93 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.446 HD11 ' CD ' ' A' ' 35' ' ' LYS . 10.9 mt -101.03 110.05 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 61.8 m-85 -73.01 152.37 41.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.52 -21.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -80.85 15.37 1.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' PHE . 6.2 m 56.05 25.08 8.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.5 m -103.85 126.26 50.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.479 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.6 mtpt -96.62 127.73 42.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -149.47 137.34 20.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -76.71 102.1 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.47 ' CG1' HG13 ' A' ' 61' ' ' ILE . 15.5 t -88.23 140.55 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.0 mt -72.31 142.02 48.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.523 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 44.9 m0 -49.38 -30.02 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.939 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -83.03 -25.4 32.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -88.16 -12.74 43.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.47 HG13 ' CG1' ' A' ' 56' ' ' VAL . 13.9 mt -91.53 109.11 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.46 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 12.4 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 pttm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.842 0.353 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.561 ' CE1' HG22 ' A' ' 61' ' ' ILE . 68.1 m-85 -56.91 173.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -125.68 148.9 48.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -77.32 130.91 37.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 73.55 31.88 60.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -106.42 123.21 47.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.56 122.6 19.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.86 170.8 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.8 mt -98.82 112.5 24.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.462 ' CB ' HG23 ' A' ' 56' ' ' VAL . . . -101.62 140.58 35.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -89.2 113.62 24.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -70.16 173.24 6.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m -57.59 -28.76 63.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -63.3 -32.21 73.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.09 -13.44 16.69 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.6 mt -89.09 156.14 19.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 22.3 m-85 -94.71 139.43 31.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -130.69 159.15 38.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tt -77.53 134.29 38.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.9 171.48 35.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.458 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.451 ' N ' HG22 ' A' ' 46' ' ' ILE . 97.1 m -122.28 129.52 52.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 111.122 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.85 129.57 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.459 ' CD ' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -117.5 -35.21 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.821 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -145.52 154.54 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.1 mt -131.19 111.01 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -102.38 117.96 35.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.5 mt -81.73 -37.28 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.162 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mt -57.86 -49.72 75.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -91.84 -2.68 56.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 54.57 44.06 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.0 p -130.68 179.06 6.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.509 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 9.6 m -151.36 128.23 10.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.7 t80 -76.66 95.98 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 33' ' ' THR . 21.0 mt -106.06 147.39 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.459 HD11 ' CD ' ' A' ' 35' ' ' LYS . 9.9 mt -107.56 111.94 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 74.9 m-85 -75.04 154.58 37.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -47.19 -20.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.13 16.1 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.7 m 55.21 25.49 7.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.3 m -104.24 126.39 51.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -96.59 126.86 42.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -147.16 138.67 24.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -78.93 101.86 7.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.462 HG23 ' CB ' ' A' ' 22' ' ' ALA . 4.9 t -89.05 140.54 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.13 143.63 52.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.509 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 40.7 m0 -50.55 -26.48 5.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -86.37 -23.48 26.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.93 -12.56 41.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.561 HG22 ' CE1' ' A' ' 14' ' ' PHE . 10.7 mt -91.72 110.27 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.472 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 6.3 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.0 pttt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.8 0.333 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.429 ' CE1' HG21 ' A' ' 61' ' ' ILE . 67.5 m-85 -63.9 172.35 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -128.17 147.14 50.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -77.14 131.48 38.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.46 26.84 62.54 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -102.2 122.22 43.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -69.16 125.05 25.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.5 m -148.45 173.93 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.2 mt -103.56 117.79 35.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.547 ' HB1' ' CZ ' ' A' ' 48' ' ' PHE . . . -105.26 145.7 30.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -92.23 112.71 24.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -70.22 172.43 8.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.7 m -57.3 -27.93 62.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -64.9 -30.56 71.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.08 -13.34 21.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.435 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.5 mt -89.1 156.28 18.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 27.0 m-85 -95.02 138.09 33.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.435 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 57.1 m-85 -128.04 158.29 38.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.967 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.421 ' C ' ' CD2' ' A' ' 31' ' ' LEU . 4.9 tt -77.68 132.1 38.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.404 ' N ' HD22 ' A' ' 31' ' ' LEU . . . -158.03 172.91 35.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.8 m -123.14 132.78 54.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.733 0.301 . . . . 0.0 111.161 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.4 133.73 28.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -122.24 -33.85 3.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -147.52 155.9 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.9 mt -132.6 107.79 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -99.19 119.17 37.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.8 mt -83.11 -37.31 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mt -56.81 -47.61 79.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -94.49 -3.79 49.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 56.17 44.47 25.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.0 p -131.01 179.82 5.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.511 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 13.2 m -151.06 129.63 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.493 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.4 t80 -78.15 97.3 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 47' ' ' ILE . 20.1 mt -107.31 144.41 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.443 ' N ' HG22 ' A' ' 46' ' ' ILE . 12.1 mt -104.8 110.01 29.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.547 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 66.3 m-85 -73.07 152.96 41.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -45.7 -21.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -81.81 16.49 1.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' PHE . 6.3 m 54.38 25.0 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 m -104.52 126.68 51.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.493 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.11 128.72 43.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -148.04 129.96 15.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.803 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -70.85 101.97 2.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.462 HG21 ' CB ' ' A' ' 22' ' ' ALA . 6.3 t -89.49 143.19 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -74.25 143.42 45.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.511 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 43.6 m0 -50.1 -31.47 13.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -83.79 -20.02 34.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -93.29 -9.55 38.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.429 HG21 ' CE1' ' A' ' 14' ' ' PHE . 13.7 mt -94.16 109.27 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.518 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.9 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CE1' HG21 ' A' ' 61' ' ' ILE . 64.9 m-85 -65.99 173.67 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -123.44 143.67 50.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.7 130.62 40.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.81 27.89 59.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -104.93 121.62 44.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.325 . . . . 0.0 110.931 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.27 126.82 30.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.0 m -147.48 170.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 mt -99.99 112.72 25.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.465 ' CB ' HG23 ' A' ' 56' ' ' VAL . . . -100.87 143.57 30.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -91.05 113.67 26.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.16 172.1 8.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 m -56.42 -30.36 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -61.72 -33.83 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.91 -13.42 12.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.1 mt -89.0 157.79 18.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 110.949 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.448 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 25.2 m-85 -96.45 138.7 33.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -129.4 159.86 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.3 tt -77.57 135.0 38.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.36 171.04 36.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.468 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.437 ' N ' HG21 ' A' ' 46' ' ' ILE . 50.4 m -121.04 132.48 54.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 111.17 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.401 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 77.8 mt -63.91 121.39 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 9.9 mmmt -108.32 -40.0 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 18.3 mtmm -142.85 162.12 36.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.8 mt -139.08 109.94 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.458 ' ND2' ' HB2' ' A' ' 41' ' ' LYS . 62.5 t-20 -100.45 110.85 23.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.521 ' HA ' ' CZ2' ' A' ' 58' ' ' TRP . 13.6 mt -73.65 -39.8 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mt -59.13 -46.56 88.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.458 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 4.1 mmpt? -88.85 -7.92 55.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 58.63 38.91 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.6 p -129.53 -177.76 4.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.514 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 10.4 m -153.62 127.74 9.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.7 t80 -76.47 96.9 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.437 HG21 ' N ' ' A' ' 33' ' ' THR . 25.1 mt -105.93 145.44 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.1 mt -105.85 111.2 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.404 ' C ' ' N ' ' A' ' 50' ' ' ASP . 72.5 m-85 -74.81 153.28 38.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -45.8 -21.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' PHE . 30.6 t70 -81.65 16.5 1.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' PHE . 9.5 m 54.57 25.02 5.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.5 m -103.64 126.39 50.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.7 mtpt -96.84 126.9 42.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -145.9 140.61 27.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -81.13 101.93 9.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.465 HG23 ' CB ' ' A' ' 22' ' ' ALA . 4.1 t -89.75 143.87 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.172 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.0 mt -73.79 142.7 46.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.521 ' CZ2' ' HA ' ' A' ' 39' ' ' ILE . 42.2 m0 -49.92 -26.56 4.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -85.75 -25.01 26.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.916 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -87.28 -15.2 38.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.494 HG21 ' CE1' ' A' ' 14' ' ' PHE . 13.5 mt -87.82 112.17 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.448 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 11.1 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.937 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.807 0.337 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.489 ' CE1' HG22 ' A' ' 61' ' ' ILE . 66.2 m-85 -52.83 170.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -125.09 141.68 51.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -73.77 128.56 35.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.14 30.01 55.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -106.3 125.64 51.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.2 127.62 33.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.8 m -150.06 173.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.3 mt -102.79 112.62 25.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . . . -99.68 142.34 31.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -90.36 113.97 25.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -70.81 171.74 10.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t -54.86 -36.6 65.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.75 -30.48 63.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.91 -11.78 22.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.443 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.7 mt -89.51 156.3 18.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.452 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 23.8 m-85 -94.08 143.96 25.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -133.76 160.54 37.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 tt -80.78 131.61 35.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.14 169.64 34.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.471 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.0 m -119.99 127.66 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 111.181 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.5 mt -65.52 134.26 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -124.48 -31.75 3.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 28.9 mtmt -145.73 157.82 43.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.6 mt -135.33 113.71 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -103.89 111.28 23.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.538 ' HA ' ' CZ2' ' A' ' 58' ' ' TRP . 12.9 mt -74.67 -40.35 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mt -58.91 -45.87 89.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -90.99 -2.16 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 52.17 42.43 30.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.8 p -133.75 178.57 6.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.504 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 27.3 m -149.58 131.84 15.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.477 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.58 96.75 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 47' ' ' ILE . 19.2 mt -110.31 141.68 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.44 ' N ' HG22 ' A' ' 46' ' ' ILE . 10.8 mt -101.46 110.19 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 22' ' ' ALA . 82.8 m-85 -73.59 152.77 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.32 -22.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 48' ' ' PHE . 22.1 t70 -81.36 17.33 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' PHE . 87.0 p 52.89 25.92 4.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.1 m -104.64 126.65 51.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.477 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.2 mtpt -95.92 127.44 41.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -149.69 135.03 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -71.98 102.05 2.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.469 HG21 ' CB ' ' A' ' 22' ' ' ALA . 18.5 t -86.68 137.19 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 60' ' ' ASP . 88.2 mt -68.88 138.2 54.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.538 ' CZ2' ' HA ' ' A' ' 39' ' ' ILE . 41.8 m0 -46.93 -30.0 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.99 -28.12 35.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 57' ' ' LEU . 88.8 m-20 -85.93 -14.13 45.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.489 HG22 ' CE1' ' A' ' 14' ' ' PHE . 10.9 mt -89.64 110.28 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.452 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 4.6 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.769 0.319 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -67.84 168.5 11.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -116.21 140.92 48.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -75.25 122.32 23.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.03 21.03 47.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.498 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -100.77 123.96 45.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 110.942 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -70.02 136.78 50.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.4 m -156.93 172.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.0 mt -100.13 112.62 24.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.507 ' HB1' ' CE2' ' A' ' 48' ' ' PHE . . . -99.81 139.43 35.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -88.97 114.0 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -70.19 173.02 7.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -55.88 -33.78 64.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.11 -27.5 67.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.72 -11.94 30.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt -88.14 155.34 19.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.87 0.367 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 21.3 m-85 -94.49 141.68 28.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -131.98 162.13 31.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 tt -80.09 128.36 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.43 167.78 31.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.421 ' N ' HG21 ' A' ' 46' ' ' ILE . 67.6 m -120.56 129.81 53.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 111.099 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.408 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 92.9 mt -63.38 123.88 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.408 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 10.7 mmmm -111.86 -38.29 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 15.4 mtpp -139.54 166.97 23.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.4 mt -140.41 123.44 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -117.5 120.68 38.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 mt -86.45 -35.47 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 mt -59.89 -43.47 94.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -101.09 3.8 41.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 47.67 47.14 18.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.0 p -131.29 176.7 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.543 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 18.6 m -149.9 129.35 13.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.522 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.79 93.9 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.421 HG21 ' N ' ' A' ' 33' ' ' THR . 22.7 mt -105.58 141.69 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 mt -101.57 109.42 25.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.507 ' CE2' ' HB1' ' A' ' 22' ' ' ALA . 66.6 m-85 -72.87 151.63 41.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.88 -21.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 48' ' ' PHE . 15.4 t70 -80.18 14.39 1.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' PHE . 8.0 m 56.21 25.01 8.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.9 m -105.32 126.53 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.522 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.8 mtpt -95.77 129.33 43.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -150.76 136.09 17.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -74.41 101.57 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.445 HG23 ' CB ' ' A' ' 22' ' ' ALA . 15.3 t -87.87 138.5 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.2 mt -68.41 141.76 55.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.543 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 40.5 m0 -50.39 -21.87 1.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -28.97 19.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.05 -7.31 58.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.0 mt -96.0 106.44 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.469 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 13.2 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.0 pttt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.88 0.372 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.526 ' CE1' HG23 ' A' ' 61' ' ' ILE . 67.4 m-85 -62.22 172.16 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -122.31 145.06 48.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -74.72 129.88 38.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.41 29.1 60.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -103.53 120.73 41.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.54 120.34 15.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.5 m -140.75 178.28 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.0 mt -105.74 112.47 25.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . . . -100.67 142.43 32.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.46 ' HG3' ' CE1' ' A' ' 29' ' ' PHE . 5.6 ttt180 -90.32 112.18 23.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.19 173.55 6.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -57.57 -31.48 66.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.7 -26.13 68.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.6 -13.15 32.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -86.99 156.19 19.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.46 ' CE1' ' HG3' ' A' ' 23' ' ' ARG . 24.4 m-85 -98.3 134.09 41.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.413 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 54.0 m-85 -123.39 162.63 22.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.434 ' C ' ' CD2' ' A' ' 31' ' ' LEU . 4.6 tt -81.98 131.07 35.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.408 ' N ' HD21 ' A' ' 31' ' ' LEU . . . -155.16 172.08 33.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.458 ' N ' HG21 ' A' ' 46' ' ' ILE . 65.5 m -121.78 130.86 53.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.739 0.304 . . . . 0.0 111.128 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.423 HG21 ' N ' ' A' ' 35' ' ' LYS . 85.8 mt -65.15 133.89 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.461 ' CD ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -123.19 -35.68 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 24.2 mtmm -144.01 153.95 42.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.6 mt -131.2 113.61 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -103.13 124.43 48.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.4 mt -86.94 -37.26 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.8 mt -57.52 -49.68 75.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -93.59 -0.11 56.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 51.86 45.33 28.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.4 p -129.68 178.67 6.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.484 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 9.7 m -149.94 129.34 12.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.477 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.98 97.77 4.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.458 HG21 ' N ' ' A' ' 33' ' ' THR . 24.5 mt -109.27 145.98 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.461 HD12 ' CD ' ' A' ' 35' ' ' LYS . 10.2 mt -105.75 113.71 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 76.6 m-85 -77.78 153.17 33.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -45.71 -21.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 48' ' ' PHE . 10.8 t70 -81.82 16.79 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.5 p 53.44 27.78 6.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.5 m -107.53 125.95 51.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.477 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -95.92 125.95 40.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -145.37 135.21 23.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -75.26 101.91 4.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.463 HG21 ' CB ' ' A' ' 22' ' ' ALA . 6.4 t -87.46 148.33 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 88.8 mt -77.63 140.82 39.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.484 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 41.1 m0 -47.67 -28.57 2.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -85.72 -26.67 25.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.06 -12.79 52.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.526 HG23 ' CE1' ' A' ' 14' ' ' PHE . 11.3 mt -91.06 110.22 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.93 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.0 pttt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.766 0.317 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.51 ' CE1' HG21 ' A' ' 61' ' ' ILE . 67.7 m-85 -54.19 175.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.448 ' C ' ' OE1' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -128.61 152.1 48.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -84.51 122.14 28.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.77 21.11 48.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -100.97 123.48 45.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.772 0.32 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -69.18 129.79 40.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.8 m -149.32 175.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.7 mt -105.38 113.98 27.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.468 ' CB ' HG23 ' A' ' 56' ' ' VAL . . . -101.91 145.13 29.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -93.1 113.89 26.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -70.91 172.78 8.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -56.58 -32.77 65.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -60.91 -27.62 68.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.15 -9.53 31.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.5 mt -90.88 156.83 17.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.9 m-85 -96.31 138.46 33.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.428 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 54.5 m-85 -128.86 162.96 26.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 tt -81.2 135.48 35.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.1 168.26 36.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.438 ' N ' HG21 ' A' ' 46' ' ' ILE . 88.9 m -119.65 130.31 55.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.327 . . . . 0.0 111.199 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.59 133.94 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -122.36 -33.06 3.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 15.1 mtmm -144.17 163.37 33.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.2 mt -137.94 112.65 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' A' ' 41' ' ' LYS . 49.1 t-20 -103.0 121.89 43.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.467 ' HA ' ' CZ2' ' A' ' 58' ' ' TRP . 16.8 mt -87.69 -33.89 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.4 -45.82 91.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 72.7 mttt -93.17 -7.8 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 59.73 43.37 15.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.5 p -133.61 176.31 8.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.469 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 32.6 m -144.16 131.31 20.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.56 ' CE2' ' HD3' ' A' ' 53' ' ' LYS . 1.4 t80 -76.68 96.54 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.438 HG21 ' N ' ' A' ' 33' ' ' THR . 20.0 mt -111.07 142.46 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.478 ' CG1' ' HG2' ' A' ' 53' ' ' LYS . 3.3 mt -104.04 109.82 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 22' ' ' ALA . 68.4 m-85 -71.58 153.09 42.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' OE1' ' C ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -45.78 -21.47 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 48' ' ' PHE . 40.3 m-20 -81.71 16.06 1.93 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' PHE . 13.7 m 53.33 29.73 9.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -112.44 120.84 43.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.56 ' HD3' ' CE2' ' A' ' 45' ' ' PHE . 15.0 mttt -86.86 134.63 33.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -153.16 123.95 7.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -67.67 101.85 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.468 HG23 ' CB ' ' A' ' 22' ' ' ALA . 18.1 t -89.26 137.53 21.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.88 141.07 56.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.469 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 45.9 m0 -48.74 -31.96 7.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.51 -25.05 38.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -88.59 -13.35 40.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.51 HG21 ' CE1' ' A' ' 14' ' ' PHE . 13.8 mt -90.17 111.82 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.467 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.4 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.762 0.315 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -51.4 167.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -124.81 140.55 52.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -73.16 133.78 44.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.25 26.18 74.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -101.37 126.64 48.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.83 132.41 46.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.3 m -154.4 171.79 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.5 mt -102.15 113.82 27.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -101.92 144.19 30.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ttm-85 -91.08 111.87 23.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.15 172.26 8.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t -55.77 -29.92 60.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -65.0 -26.21 68.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.64 -14.03 32.48 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.5 mt -85.47 157.04 20.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -98.77 133.17 43.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -122.87 161.32 24.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.407 HD21 ' N ' ' A' ' 32' ' ' GLY . 5.9 tt -80.7 133.53 35.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.407 ' N ' HD21 ' A' ' 31' ' ' LEU . . . -158.45 174.45 35.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.458 ' N ' HG22 ' A' ' 46' ' ' ILE . 94.6 m -124.61 131.14 53.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.753 0.311 . . . . 0.0 111.136 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 82.0 mt -63.24 132.24 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 -36.18 3.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -145.39 155.2 43.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.5 mt -132.12 108.73 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -97.11 112.27 24.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.4 mt -75.57 -38.02 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.92 -45.24 94.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -90.03 -9.28 49.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 59.47 39.01 22.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.2 p -128.83 -178.37 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.498 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 25.3 m -151.36 127.99 10.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.97 95.71 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 33' ' ' THR . 20.2 mt -105.66 147.18 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.0 mt -107.06 109.88 29.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 22' ' ' ALA . 71.6 m-85 -73.83 152.94 40.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -45.56 -21.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' PHE . 1.1 m-20 -81.73 16.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' PHE . 8.9 m 53.69 27.87 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.4 m -107.33 126.34 52.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.815 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.6 mtpt -96.25 126.74 41.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -145.85 135.99 23.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -75.13 101.82 4.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.465 HG21 ' CB ' ' A' ' 22' ' ' ALA . 11.0 t -89.74 138.89 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.68 140.8 53.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.498 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 41.4 m0 -47.59 -32.11 5.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -25.07 33.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -87.31 -9.88 53.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.409 HG13 ' CG1' ' A' ' 56' ' ' VAL . 14.7 mt -94.46 111.19 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 pttm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CE1' HG23 ' A' ' 61' ' ' ILE . 66.4 m-85 -61.63 171.67 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -121.21 146.35 46.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -74.08 132.85 42.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.08 31.41 66.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -105.03 122.87 46.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -69.5 120.45 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.2 m -141.25 173.67 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 mt -103.11 114.49 28.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.471 ' CB ' HG23 ' A' ' 56' ' ' VAL . . . -104.85 140.06 38.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -88.73 114.67 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -70.38 171.43 10.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 m -55.31 -29.82 59.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.17 -34.12 75.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.49 -14.37 11.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.6 mt -88.41 156.34 19.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -95.03 138.89 32.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -129.45 158.92 37.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.7 tt -78.06 134.76 37.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.65 168.9 35.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.455 ' N ' HG21 ' A' ' 46' ' ' ILE . 86.5 m -118.59 131.99 56.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 111.146 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.1 mt -65.54 129.22 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.448 ' CD ' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -117.62 -32.89 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 16.4 mtpp -145.16 156.28 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.6 mt -133.62 106.94 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -100.06 120.59 40.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.439 ' HA ' ' CZ2' ' A' ' 58' ' ' TRP . 17.0 mt -86.69 -34.32 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 mt -61.2 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -96.91 -4.47 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 56.73 43.57 25.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.0 p -131.53 -179.99 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.536 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 18.2 m -152.19 127.91 10.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.478 ' CB ' ' HB2' ' A' ' 36' ' ' LYS . 1.6 t80 -76.61 96.0 4.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 33' ' ' THR . 20.9 mt -107.25 146.46 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.448 HD11 ' CD ' ' A' ' 35' ' ' LYS . 9.7 mt -106.85 111.66 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.402 ' C ' ' N ' ' A' ' 50' ' ' ASP . 70.6 m-85 -74.45 153.08 39.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -46.16 -21.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 48' ' ' PHE . 12.6 m-20 -81.06 15.14 1.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.6 m 56.03 26.42 9.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.2 m -105.3 126.46 52.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.475 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -96.7 126.82 42.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -148.36 138.23 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -77.55 102.0 6.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.471 HG23 ' CB ' ' A' ' 22' ' ' ALA . 7.4 t -88.85 136.39 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.95 143.29 55.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.536 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 44.8 m0 -50.95 -30.42 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -81.7 -23.97 36.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.925 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -91.27 -8.8 47.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.494 HG23 ' CE1' ' A' ' 14' ' ' PHE . 14.5 mt -94.36 111.8 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.807 0.337 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.421 ' CE1' HG21 ' A' ' 61' ' ' ILE . 66.3 m-85 -66.45 171.77 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -132.09 149.82 52.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.79 130.44 35.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.77 29.56 57.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -109.16 124.66 51.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -69.05 136.0 51.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.3 m -156.03 176.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.7 mt -105.53 113.72 27.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.461 ' CB ' HG22 ' A' ' 56' ' ' VAL . . . -100.35 142.85 31.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -91.1 112.32 24.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -70.17 172.26 8.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -52.71 -41.75 64.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -54.48 -24.15 19.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.09 -8.08 41.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.5 mt -88.88 158.15 18.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -98.67 141.59 31.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -132.85 161.55 33.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 tt -78.63 133.7 37.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.77 173.77 35.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.46 ' N ' HG23 ' A' ' 46' ' ' ILE . 90.7 m -124.32 129.78 51.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.134 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.4 mt -66.21 127.69 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -117.42 -32.45 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.474 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 13.6 mtpp -144.97 156.65 44.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mt -134.58 107.52 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -99.36 117.82 34.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.485 ' HA ' ' CZ2' ' A' ' 58' ' ' TRP . 16.9 mt -83.02 -35.3 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.79 -47.35 86.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -93.85 -2.24 53.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 54.93 43.3 30.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.5 p -131.41 178.4 6.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.51 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 12.6 m -150.48 130.35 13.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.474 ' CB ' ' HB2' ' A' ' 36' ' ' LYS . 1.8 t80 -76.91 98.97 5.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 33' ' ' THR . 28.4 mt -110.22 149.04 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mt -110.62 111.2 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.452 ' CE2' ' HB1' ' A' ' 22' ' ' ALA . 83.2 m-85 -74.45 151.96 39.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -45.11 -21.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 48' ' ' PHE . 22.2 t70 -80.69 14.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 48' ' ' PHE . 6.9 m 55.95 25.18 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -104.48 126.17 51.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.43 127.16 42.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -148.19 131.99 17.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -72.88 102.36 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.461 HG22 ' CB ' ' A' ' 22' ' ' ALA . 2.9 t -89.94 141.18 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.407 HD12 ' CE ' ' A' ' 59' ' ' LYS . 97.7 mt -71.1 144.83 50.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.51 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 44.4 m0 -50.62 -29.17 10.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' CE ' HD12 ' A' ' 57' ' ' LEU . 15.3 pttt -81.56 -22.84 37.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -90.07 -18.53 25.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.421 HG21 ' CE1' ' A' ' 14' ' ' PHE . 16.2 mt -87.3 110.7 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.09 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.942 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.819 0.343 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.512 ' CE1' HG21 ' A' ' 61' ' ' ILE . 68.6 m-85 -55.12 174.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -127.43 138.01 52.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.64 130.25 42.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.28 32.11 56.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -108.92 124.49 50.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.69 134.05 48.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.0 m -155.89 173.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 mt -103.27 115.55 30.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -103.12 143.14 32.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -90.0 112.24 23.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -70.08 172.62 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -55.02 -33.34 62.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.31 -27.27 68.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.43 -13.14 30.63 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.538 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.0 mt -86.4 157.84 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 110.948 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.1 m-85 -97.94 138.17 35.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -128.93 159.98 34.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 tt -77.87 133.02 38.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.44 172.77 34.86 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.456 ' N ' HG23 ' A' ' 46' ' ' ILE . 89.4 m -124.16 131.65 53.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 111.117 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.422 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 74.2 mt -62.42 126.22 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 8.0 mmmt -114.96 -33.03 5.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 14.8 mtpp -146.66 165.16 30.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 57.6 mt -140.82 107.25 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -97.94 111.29 23.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.428 ' HA ' ' CZ2' ' A' ' 58' ' ' TRP . 8.1 mt -73.5 -41.01 56.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 mt -60.87 -47.75 84.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.976 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -85.12 -7.74 58.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 56.72 33.41 22.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.3 p -124.57 -177.33 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.519 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 18.7 m -151.73 128.88 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.507 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.4 t80 -76.65 95.77 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 33' ' ' THR . 19.6 mt -105.51 146.12 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.18 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mt -106.41 112.03 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 22' ' ' ALA . 72.9 m-85 -75.92 152.34 37.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -45.15 -21.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' PHE . 7.8 m-20 -80.74 14.85 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 48' ' ' PHE . 13.4 p 55.77 24.99 7.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.8 m -105.09 126.17 51.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.507 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 6.1 mtpt -95.66 128.32 42.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -146.61 136.8 23.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -76.14 102.07 5.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.433 HG21 ' CB ' ' A' ' 22' ' ' ALA . 11.2 t -87.95 147.94 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.9 mt -78.28 140.54 38.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.519 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 40.3 m0 -48.96 -29.59 4.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -86.33 -23.07 26.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.18 -12.18 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.512 HG21 ' CE1' ' A' ' 14' ' ' PHE . 12.9 mt -90.43 108.75 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.443 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.8 tt0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.848 0.356 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.541 ' CE1' HG21 ' A' ' 61' ' ' ILE . 66.5 m-85 -71.52 170.6 13.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -123.25 146.76 47.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -77.83 128.14 33.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.15 29.07 57.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -107.43 124.41 49.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.318 . . . . 0.0 110.918 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.15 132.64 46.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.4 m -152.56 174.76 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.0 mt -103.47 114.46 28.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.497 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . . . -102.4 142.81 33.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.5 ttm-85 -91.05 112.18 23.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -70.19 172.07 8.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -55.33 -32.86 62.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.42 -27.8 68.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.15 -8.64 31.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.1 mt -91.06 156.36 17.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.837 0.351 . . . . 0.0 110.928 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.491 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.3 m-85 -96.05 138.59 33.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -129.14 161.63 29.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.405 ' C ' ' CD2' ' A' ' 31' ' ' LEU . 5.7 tt -80.4 131.24 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.4 ' N ' HD21 ' A' ' 31' ' ' LEU . . . -156.16 168.87 33.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.427 ' N ' HG23 ' A' ' 46' ' ' ILE . 97.9 m -119.56 130.94 55.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 111.154 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.93 130.99 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -119.95 -34.89 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 20.3 mtpt -141.64 156.62 45.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.2 mt -134.45 106.32 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -96.82 124.07 40.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.8 mt -88.7 -33.07 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.47 -45.12 92.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -95.07 -3.94 47.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 55.82 39.59 30.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.3 p -125.93 179.75 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.514 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 13.3 m -150.59 128.6 11.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.496 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.9 t80 -76.69 96.82 4.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 33' ' ' THR . 25.1 mt -109.03 147.82 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.5 mt -108.62 111.26 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.497 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 77.8 m-85 -74.51 152.53 39.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -45.58 -21.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' PHE . 3.7 m-20 -81.29 15.92 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' PHE . 10.8 p 54.47 28.62 9.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -107.76 126.12 52.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.41 125.91 41.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -147.23 137.36 23.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -76.12 101.59 5.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.469 HG23 ' CB ' ' A' ' 22' ' ' ALA . 5.3 t -88.83 135.22 26.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.86 142.04 57.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.514 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 44.7 m0 -48.86 -29.83 5.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -81.54 -25.86 35.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.69 -13.19 43.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.541 HG21 ' CE1' ' A' ' 14' ' ' PHE . 12.5 mt -91.69 111.53 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.491 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.3 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 pttm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.78 0.324 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.486 ' CE1' HG22 ' A' ' 61' ' ' ILE . 63.9 m-85 -58.82 167.55 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -118.32 146.96 43.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -78.55 125.28 29.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.41 27.13 49.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.53 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -104.51 125.12 50.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.42 134.34 48.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.6 m -155.27 174.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.3 mt -104.18 112.76 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.462 ' CB ' HG21 ' A' ' 56' ' ' VAL . . . -100.3 140.93 33.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -89.66 114.26 25.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -70.08 173.09 6.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 p -55.02 -35.53 64.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.33 -28.83 65.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.67 -10.42 27.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.15 156.8 18.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.81 0.338 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 24.3 m-85 -95.96 140.55 30.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.843 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.426 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 58.5 m-85 -131.09 161.92 31.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.933 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt -79.2 129.36 34.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.2 171.07 33.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.466 ' N ' HG23 ' A' ' 46' ' ' ILE . 59.8 m -122.29 132.38 54.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.103 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.41 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 92.3 mt -65.22 122.18 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 10.8 mmmm -109.97 -35.07 6.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 31.7 mtpt -142.59 165.93 26.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.2 mt -140.97 115.01 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -109.11 126.44 53.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.8 mt -91.6 -35.02 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.2 mt -59.1 -41.47 88.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -103.32 1.32 32.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 51.33 43.18 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.1 p -127.16 178.77 5.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.551 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 15.2 m -151.77 128.96 11.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.528 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.7 t80 -76.54 95.09 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 33' ' ' THR . 24.0 mt -105.88 146.27 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mt -106.92 110.66 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.426 ' CD2' ' HB2' ' A' ' 30' ' ' TYR . 71.6 m-85 -73.48 154.82 39.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -47.63 -22.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.464 ' OD1' ' CB ' ' A' ' 52' ' ' SER . 28.6 p30 -79.86 12.76 2.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 p 58.17 25.74 12.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.464 ' CB ' ' OD1' ' A' ' 50' ' ' ASP . 5.4 m -105.25 126.42 52.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.528 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -95.76 127.91 42.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -148.99 133.61 17.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -72.72 103.21 3.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.462 HG21 ' CB ' ' A' ' 22' ' ' ALA . 16.5 t -89.3 145.16 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 75.3 mt -75.23 141.62 43.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.551 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 44.0 m0 -50.01 -32.68 15.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -81.63 -20.32 39.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.26 -15.02 26.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.486 HG22 ' CE1' ' A' ' 14' ' ' PHE . 16.3 mt -88.79 107.81 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.465 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 8.4 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -71.16 -56.64 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.362 . . . . 0.0 110.833 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m -71.14 104.88 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.01 -177.59 32.75 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.46 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -101.81 131.34 48.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.3 p -114.33 118.64 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.96 170.27 29.8 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.515 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -174.47 143.28 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.361 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -97.66 147.8 33.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 0.0 110.915 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 166.68 26.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.26 . . . . 0.0 112.351 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.65 156.9 16.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.422 ' HB2' ' CG2' ' A' ' 37' ' ' ILE . 25.0 p -77.36 74.63 3.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -42.38 -34.33 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -53.1 174.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' C ' ' OE1' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -132.42 147.49 52.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -82.52 121.18 26.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.34 16.88 48.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -96.52 123.59 40.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.26 121.7 19.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.0 m -141.26 173.95 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.0 mt -103.25 113.66 27.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.47 ' CB ' HG22 ' A' ' 56' ' ' VAL . . . -101.92 144.16 30.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -90.96 113.61 25.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -70.21 172.1 8.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -56.48 -30.52 63.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -61.65 -34.48 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.36 -13.0 12.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.53 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.0 mt -89.35 156.32 18.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.847 0.356 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 25.0 m-85 -95.01 138.21 33.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -128.98 160.47 32.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 tt -79.01 135.64 36.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.21 165.89 35.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.1 m -116.02 130.83 56.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.689 0.281 . . . . 0.0 111.186 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.77 128.05 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.456 ' HD2' ' CD1' ' A' ' 47' ' ' ILE . 8.6 mmpt? -116.16 -37.45 3.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.43 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 20.7 mtmt -143.08 160.15 40.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.422 ' CG2' ' HB2' ' A' ' 12' ' ' CYS . 40.2 mt -137.46 108.44 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -99.57 117.18 33.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.1 mt -81.67 -35.18 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.21 -43.72 95.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -97.71 -4.55 37.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 56.84 43.43 24.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.1 p -129.5 179.16 5.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.548 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 25.5 m -151.52 128.03 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.81 97.18 4.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.454 HG21 ' N ' ' A' ' 47' ' ' ILE . 21.5 mt -107.82 145.18 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.456 ' CD1' ' HD2' ' A' ' 35' ' ' LYS . 9.9 mt -105.93 111.66 35.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 51' ' ' SER . 75.0 m-85 -74.92 152.85 38.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -45.68 -21.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' PHE . 55.9 m-20 -81.11 14.99 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' PHE . 14.0 m 55.74 25.71 8.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.4 m -105.3 126.56 52.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.472 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.8 mtpt -96.09 127.44 42.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -146.92 132.89 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -73.81 102.01 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.47 HG22 ' CB ' ' A' ' 22' ' ' ALA . 11.2 t -88.69 144.85 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.5 141.33 41.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 44.2 m0 -48.77 -30.35 5.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 pttm -82.88 -24.38 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -89.83 -12.7 38.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.438 HG13 ' CG1' ' A' ' 56' ' ' VAL . 14.6 mt -91.43 109.75 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.7 tt0 -86.01 124.17 32.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.0 p -88.85 110.71 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.71 -75.12 1.29 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -38.9 112.92 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.0 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 t -87.55 150.03 23.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.374 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -109.21 168.86 9.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.61 -171.75 29.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.524 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -155.08 154.63 32.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.842 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 p -135.3 162.6 32.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.98 -85.61 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.15 131.6 50.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.848 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -39.48 143.17 0.55 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 126.89 13.82 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -111.81 162.17 15.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.0 p -71.04 170.2 13.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 14' ' ' PHE . 21.7 pttp -134.21 -40.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.536 ' CE1' HG23 ' A' ' 61' ' ' ILE . 67.4 m-85 -48.58 172.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -125.86 142.95 51.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -73.08 129.87 39.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.32 27.53 55.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -102.47 121.55 42.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.02 116.67 12.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -136.88 179.7 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.9 mt -109.46 112.46 24.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.468 ' CB ' HG22 ' A' ' 56' ' ' VAL . . . -100.56 144.13 29.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -91.17 112.87 24.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.32 171.91 9.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t -55.36 -30.91 61.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.12 -27.28 69.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.44 -13.91 30.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.8 mt -86.68 155.71 20.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.5 m-85 -95.76 138.48 33.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -129.53 159.21 37.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.3 tt -77.86 133.49 38.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.82 164.83 33.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.442 ' N ' HG22 ' A' ' 46' ' ' ILE . 61.3 m -115.97 130.4 56.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.32 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 35' ' ' LYS . 80.5 mt -64.79 134.58 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' N ' HG23 ' A' ' 34' ' ' ILE . 7.2 mmpt? -124.02 -30.8 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -149.27 153.04 36.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.7 mt -130.11 116.79 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -109.32 124.15 50.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.0 mt -89.02 -37.33 9.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.9 mt -55.03 -41.78 71.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -102.75 -4.4 25.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 57.45 47.0 17.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.4 p -132.84 179.07 6.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.507 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 15.4 m -151.87 129.43 11.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.502 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.61 96.51 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 33' ' ' THR . 35.0 mt -107.29 146.15 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mt -105.39 110.26 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 51' ' ' SER . 84.7 m-85 -73.97 152.92 39.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -45.07 -21.8 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 48' ' ' PHE . 1.7 m-20 -81.52 15.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' PHE . 10.7 m 54.56 25.05 5.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 m -104.53 127.03 52.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.502 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.7 mtpt -96.21 127.87 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -148.59 131.79 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -71.9 102.24 2.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.468 HG22 ' CB ' ' A' ' 22' ' ' ALA . 3.4 t -91.17 137.68 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.83 143.78 56.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.507 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 45.0 m0 -49.58 -32.31 12.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.84 -26.58 44.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -85.4 -18.03 34.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.536 HG23 ' CE1' ' A' ' 14' ' ' PHE . 15.3 mt -88.15 106.75 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.459 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 6.8 tt0 -87.25 126.74 35.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.9 p -86.03 95.31 9.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 168.69 -163.94 37.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.4 170.32 22.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 48.6 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -147.76 144.85 28.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -115.56 160.67 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.63 -166.13 43.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 62.43 31.15 17.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.362 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t 58.91 51.85 6.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.56 -107.73 1.36 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.448 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -143.62 145.87 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -150.14 158.4 36.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.595 0.712 . . . . 0.0 110.86 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 142.13 47.28 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.26 . . . . 0.0 112.375 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.02 152.76 43.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.6 p -114.0 152.8 30.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -94.28 -39.31 10.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.54 ' CE1' HG23 ' A' ' 61' ' ' ILE . 63.9 m-85 -58.95 167.47 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -119.33 141.39 49.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -71.94 130.53 41.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.94 32.55 56.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -107.75 123.31 48.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.736 0.303 . . . . 0.0 110.966 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.16 118.93 12.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.83 169.19 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.8 mt -98.55 112.11 24.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.514 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . . . -101.58 140.05 36.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.458 ' NE ' ' O ' ' A' ' 27' ' ' GLY . 9.9 ttt180 -89.06 114.14 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -70.57 172.78 7.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.2 m -55.98 -32.63 64.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.58 -34.3 72.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.458 ' O ' ' NE ' ' A' ' 23' ' ' ARG . . . 118.05 -12.87 12.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.4 mt -88.56 155.47 19.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -96.13 135.17 38.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -125.95 162.11 25.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 32' ' ' GLY . 5.7 tt -79.5 134.05 36.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.423 ' N ' HD22 ' A' ' 31' ' ' LEU . . . -158.09 169.86 34.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.464 ' N ' HG22 ' A' ' 46' ' ' ILE . 72.1 m -120.13 131.84 55.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.754 0.312 . . . . 0.0 111.121 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.422 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 73.0 mt -64.63 128.44 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.08 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 7.9 mmmt -116.83 -35.98 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -145.26 155.28 43.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mt -131.75 115.46 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -105.9 126.68 52.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.4 mt -90.37 -36.45 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mt -60.23 -43.61 95.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -96.94 -4.76 39.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 56.22 41.56 29.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.4 p -128.81 179.63 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.537 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 17.7 m -151.83 128.45 10.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.9 t80 -76.68 97.5 4.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 33' ' ' THR . 19.7 mt -107.71 147.61 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mt -106.42 113.14 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 22' ' ' ALA . 66.2 m-85 -77.29 153.09 34.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.55 -21.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' PHE . 14.7 t0 -81.73 16.98 1.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' PHE . 79.9 p 53.42 26.19 5.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.2 m -105.55 125.63 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 6.0 mtpt -95.78 126.73 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -146.68 136.63 23.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -75.17 102.05 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.467 HG21 ' CB ' ' A' ' 22' ' ' ALA . 5.9 t -89.53 139.83 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.2 mt -70.39 144.68 51.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.537 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 42.4 m0 -51.68 -27.43 11.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -84.96 -25.88 27.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -87.34 -12.46 46.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.54 HG23 ' CE1' ' A' ' 14' ' ' PHE . 13.2 mt -92.02 109.98 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -81.87 139.59 34.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.0 p -110.52 95.39 5.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.4 78.66 0.33 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.443 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.49 168.41 14.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -179.901 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -80.44 130.24 35.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -123.53 99.4 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.29 158.35 31.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -52.4 108.25 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.895 0.378 . . . . 0.0 110.867 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -101.52 149.76 23.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.63 -71.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.523 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.12 132.5 55.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -38.63 143.07 0.47 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.514 0.673 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 177.27 5.75 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -110.64 153.28 25.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.0 p -98.93 162.95 12.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -91.39 -39.76 11.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.501 ' CE1' HG21 ' A' ' 61' ' ' ILE . 65.0 m-85 -69.18 172.2 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -126.85 146.25 50.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -75.98 131.67 39.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.839 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.71 27.46 60.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.532 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -102.77 120.22 40.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 118.57 12.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.4 m -139.13 175.41 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.6 mt -104.24 113.62 27.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.488 ' HB1' ' CE2' ' A' ' 48' ' ' PHE . . . -102.14 139.97 37.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -88.18 113.57 23.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -70.09 172.48 7.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -58.41 -28.01 64.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -31.27 72.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.828 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.82 -13.01 17.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.524 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 mt -90.63 155.35 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.464 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 20.6 m-85 -94.07 140.04 30.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.402 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 58.7 m-85 -130.43 157.71 41.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.408 HD21 ' N ' ' A' ' 32' ' ' GLY . 4.5 tt -78.11 132.31 37.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.408 ' N ' HD21 ' A' ' 31' ' ' LEU . . . -156.53 166.29 33.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.523 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.42 ' N ' HG22 ' A' ' 46' ' ' ILE . 89.5 m -115.37 131.08 57.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.743 0.306 . . . . 0.0 111.165 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.7 mt -64.57 128.67 27.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -116.78 -37.64 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -143.94 152.5 41.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.6 mt -129.3 115.95 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -108.11 122.85 47.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.6 mt -86.77 -37.56 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.36 -44.77 76.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -99.89 -1.0 38.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 53.94 44.29 29.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.7 p -128.37 178.96 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.544 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 10.8 m -152.43 127.73 9.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.502 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.6 t80 -76.67 95.64 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 33' ' ' THR . 22.9 mt -106.63 145.74 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 mt -104.63 110.07 29.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.488 ' CE2' ' HB1' ' A' ' 22' ' ' ALA . 71.0 m-85 -73.29 153.19 40.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -45.85 -21.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 48' ' ' PHE . 2.0 m-20 -81.71 16.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 48' ' ' PHE . 8.6 m 54.33 26.34 6.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.5 m -106.51 127.12 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.502 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.6 mtpt -96.03 128.75 43.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -149.33 133.51 17.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -72.73 101.82 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.468 HG22 ' CB ' ' A' ' 22' ' ' ALA . 9.0 t -89.2 140.28 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.9 mt -71.43 141.27 50.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.544 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 42.7 m0 -48.75 -31.78 7.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -80.59 -23.94 39.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -90.25 -13.08 36.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.501 HG21 ' CE1' ' A' ' 14' ' ' PHE . 12.6 mt -90.23 107.04 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.464 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 12.1 tt0 -84.76 138.02 32.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' GLY . 77.6 p -110.2 95.02 5.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' THR . . . 34.45 63.51 0.45 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.468 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -118.25 135.84 54.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t -52.31 150.73 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.362 . . . . 0.0 110.91 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 m -47.69 168.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.39 -138.58 9.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -55.54 92.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -79.65 157.79 27.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.67 -120.27 0.77 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -73.91 155.05 39.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -96.5 158.18 34.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.569 0.7 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -172.78 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.258 . . . . 0.0 112.359 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.4 ' C ' HD11 ' A' ' 39' ' ' ILE . . . -103.94 170.6 7.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.419 ' N ' HD11 ' A' ' 39' ' ' ILE . 28.0 p -80.24 171.04 15.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HE2' ' CE1' ' A' ' 14' ' ' PHE . 14.4 pttm -122.99 -38.6 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.482 ' CE2' HG23 ' A' ' 61' ' ' ILE . 65.0 m-85 -57.99 173.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -121.31 149.49 42.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -78.97 125.74 29.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.13 27.18 45.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -105.01 123.8 48.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -70.71 131.62 44.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -151.58 172.76 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.6 mt -101.99 111.97 24.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.469 ' CB ' HG22 ' A' ' 56' ' ' VAL . . . -100.38 140.04 35.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.072 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.465 ' HG3' ' CE1' ' A' ' 29' ' ' PHE . 13.5 ttp180 -88.95 113.83 24.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -70.27 172.15 8.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -56.0 -32.23 63.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.03 -27.92 68.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.9 -13.75 26.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.7 mt -87.29 156.75 19.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.465 ' CE1' ' HG3' ' A' ' 23' ' ' ARG . 22.7 m-85 -98.03 137.08 37.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -127.24 162.79 25.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.7 tt -80.09 135.4 36.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.87 169.76 35.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.451 ' N ' HG21 ' A' ' 46' ' ' ILE . 51.7 m -120.82 129.96 53.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.743 0.306 . . . . 0.0 111.172 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.2 mt -63.7 125.88 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -113.55 -38.79 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.41 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 34.7 mtmt -142.81 163.38 32.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.4 mt -139.44 113.06 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -103.15 110.16 22.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.419 HD11 ' N ' ' A' ' 12' ' ' CYS . 13.4 mt -72.28 -39.92 64.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mt -58.88 -44.73 91.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -92.87 -3.74 54.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 53.49 41.48 32.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.1 p -131.62 177.59 7.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.497 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 15.2 m -147.38 130.15 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.44 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.6 t80 -76.66 95.71 4.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.451 HG21 ' N ' ' A' ' 33' ' ' THR . 25.6 mt -106.48 147.08 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.186 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 mt -107.52 108.27 24.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' SER . 88.5 m-85 -71.3 151.9 43.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -44.88 -22.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' PHE . 4.6 m-20 -81.04 15.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' PHE . 19.1 p 55.84 25.04 8.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.1 m -104.0 126.54 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.44 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.29 128.61 43.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -149.59 136.14 19.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -75.71 101.48 5.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.469 HG22 ' CB ' ' A' ' 22' ' ' ALA . 3.2 t -88.79 139.27 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.446 ' CD1' ' HE2' ' A' ' 59' ' ' LYS . 76.3 mt -67.44 143.01 56.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.497 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 37.1 m0 -50.46 -30.07 11.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.446 ' HE2' ' CD1' ' A' ' 57' ' ' LEU . 22.8 pttt -82.35 -22.91 35.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -88.34 -18.6 28.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.482 HG23 ' CE2' ' A' ' 14' ' ' PHE . 21.7 mt -86.05 108.84 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -90.92 119.63 31.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.6 p -73.2 -35.13 66.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 137.97 114.58 1.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.22 99.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 0.0 111.082 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.4 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -86.99 97.82 10.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.893 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 p -85.22 150.63 24.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.92 53.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.457 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -90.44 170.04 10.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -53.15 136.87 35.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.62 76.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.442 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -43.44 124.77 3.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -146.08 144.85 22.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 0.0 110.862 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -178.04 2.16 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.351 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -119.58 -23.37 6.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.2 p -149.8 168.74 22.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HE2' ' CE2' ' A' ' 14' ' ' PHE . 19.7 pttm -111.25 -31.61 7.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CE1' HG21 ' A' ' 61' ' ' ILE . 66.7 m-85 -71.32 171.01 11.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -127.78 145.92 50.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -76.51 130.05 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.97 29.11 55.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -106.07 119.37 39.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -69.21 120.73 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.3 m -138.82 178.77 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.5 mt -107.64 112.11 24.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -100.85 143.93 30.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -91.4 112.7 24.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -70.18 173.73 6.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 p -57.97 -31.18 66.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -62.26 -26.48 68.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.24 -10.03 33.52 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 mt -90.6 157.04 17.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.406 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 25.7 m-85 -98.01 135.54 39.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -125.61 162.45 24.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 tt -81.26 133.21 35.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.95 170.38 34.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.442 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.403 ' N ' HG21 ' A' ' 46' ' ' ILE . 97.0 m -119.98 132.16 55.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.7 0.286 . . . . 0.0 111.137 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.56 126.35 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HD2' ' CD1' ' A' ' 47' ' ' ILE . 8.1 mmpt? -113.89 -36.94 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 35.9 mtmt -144.88 161.36 39.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.5 mt -136.13 108.8 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -99.9 120.07 39.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.4 mt -84.59 -37.4 12.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.91 -49.79 74.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -91.98 -4.31 54.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 57.02 45.15 21.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.6 p -132.73 177.83 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 19.7 m -148.12 130.25 15.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.4 t80 -77.61 95.21 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 33' ' ' THR . 20.1 mt -106.4 146.11 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.468 ' CD1' ' HD2' ' A' ' 35' ' ' LYS . 9.9 mt -106.54 110.11 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 22' ' ' ALA . 81.8 m-85 -72.45 158.7 35.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -50.27 -23.55 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.2 p30 -78.95 11.14 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.1 p 59.37 27.12 16.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -106.74 127.95 53.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.483 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 6.1 mtpt -96.06 127.29 41.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -147.19 130.07 16.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -71.04 101.51 2.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.464 HG22 ' CB ' ' A' ' 22' ' ' ALA . 11.0 t -88.78 138.01 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.13 142.61 57.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.485 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 38.1 m0 -49.95 -21.99 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -29.51 18.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -82.09 -13.35 57.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.454 HG21 ' CE1' ' A' ' 14' ' ' PHE . 11.2 mt -89.95 111.44 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 6.0 tt0 -91.17 135.95 33.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.9 p -113.95 95.78 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.82 -177.95 20.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.475 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.44 97.95 11.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.912 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -94.95 -46.63 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -91.86 97.85 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.23 137.72 10.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.3 p -166.79 165.55 16.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 110.901 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 t -106.42 158.35 16.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.44 85.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -73.3 147.37 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.441 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 11.0 tttp -165.47 142.85 4.79 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.544 0.688 . . . . 0.0 110.889 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 54.2 Cg_endo -69.7 142.64 48.78 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.254 . . . . 0.0 112.379 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.447 ' O ' ' CD1' ' A' ' 39' ' ' ILE . . . -75.55 -22.79 56.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.4 p -162.58 164.11 26.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.83 -29.53 2.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -54.51 170.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -127.95 146.15 50.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -78.22 129.28 34.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.08 23.8 60.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -98.98 123.52 43.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -72.07 121.82 19.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.5 m -142.31 -178.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.2 mt -110.1 112.57 24.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . . . -100.81 140.12 35.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -88.36 113.57 24.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -70.34 172.33 8.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.2 m -55.61 -35.27 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -29.99 64.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.51 -12.46 23.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 mt -89.34 157.27 18.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.817 0.341 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 22.4 m-85 -94.96 143.24 26.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -133.45 160.72 36.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 tt -79.43 130.38 35.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.85 165.16 32.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.418 ' N ' HG23 ' A' ' 46' ' ' ILE . 99.6 m -117.07 129.88 56.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.334 . . . . 0.0 111.12 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.28 131.49 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.446 ' CD ' HD11 ' A' ' 47' ' ' ILE . 6.0 mmpt? -120.73 -32.6 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 23.2 mtmm -146.81 158.91 44.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.6 mt -134.33 114.42 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 40' ' ' LEU . 43.6 t-20 -105.95 125.58 51.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.447 ' CD1' ' O ' ' A' ' 11' ' ' ALA . 21.4 mt -90.4 -33.66 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.408 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 7.0 mt -60.9 -42.41 97.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -101.9 0.95 36.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 51.35 45.08 28.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.6 p -130.25 176.54 8.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.523 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 26.3 m -148.08 128.99 14.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.479 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.7 t80 -76.64 96.43 4.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 33' ' ' THR . 18.0 mt -107.88 140.93 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.446 HD11 ' CD ' ' A' ' 35' ' ' LYS . 10.9 mt -101.03 110.05 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 61.8 m-85 -73.01 152.37 41.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.52 -21.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -80.85 15.37 1.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' PHE . 6.2 m 56.05 25.08 8.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.5 m -103.85 126.26 50.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.479 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.6 mtpt -96.62 127.73 42.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -149.47 137.34 20.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -76.71 102.1 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.47 ' CG1' HG13 ' A' ' 61' ' ' ILE . 15.5 t -88.23 140.55 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.0 mt -72.31 142.02 48.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.523 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 44.9 m0 -49.38 -30.02 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.939 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -83.03 -25.4 32.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -88.16 -12.74 43.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.47 HG13 ' CG1' ' A' ' 56' ' ' VAL . 13.9 mt -91.53 109.11 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.46 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 12.4 tt0 -83.63 131.69 34.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 56.4 p -100.0 96.49 7.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.04 125.3 32.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.98 130.78 53.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.865 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -103.54 106.5 17.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.6 p -166.38 123.66 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.45 128.29 15.39 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -160.78 125.94 3.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -46.89 -44.73 19.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.34 110.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -71.58 165.65 23.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -140.91 143.86 33.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.69 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.04 19.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.243 . . . . 0.0 112.37 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.92 137.48 34.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.1 p -41.01 145.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -95.94 -40.24 9.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.561 ' CE1' HG22 ' A' ' 61' ' ' ILE . 68.1 m-85 -56.91 173.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -125.68 148.9 48.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -77.32 130.91 37.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 73.55 31.88 60.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -106.42 123.21 47.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.56 122.6 19.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.86 170.8 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.8 mt -98.82 112.5 24.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.462 ' CB ' HG23 ' A' ' 56' ' ' VAL . . . -101.62 140.58 35.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -89.2 113.62 24.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -70.16 173.24 6.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m -57.59 -28.76 63.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -63.3 -32.21 73.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.09 -13.44 16.69 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.6 mt -89.09 156.14 19.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 22.3 m-85 -94.71 139.43 31.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -130.69 159.15 38.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tt -77.53 134.29 38.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.9 171.48 35.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.458 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.451 ' N ' HG22 ' A' ' 46' ' ' ILE . 97.1 m -122.28 129.52 52.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 111.122 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.85 129.57 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.459 ' CD ' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -117.5 -35.21 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.821 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -145.52 154.54 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.1 mt -131.19 111.01 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -102.38 117.96 35.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.5 mt -81.73 -37.28 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.162 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mt -57.86 -49.72 75.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -91.84 -2.68 56.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 54.57 44.06 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.0 p -130.68 179.06 6.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.509 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 9.6 m -151.36 128.23 10.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.7 t80 -76.66 95.98 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 33' ' ' THR . 21.0 mt -106.06 147.39 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.459 HD11 ' CD ' ' A' ' 35' ' ' LYS . 9.9 mt -107.56 111.94 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 74.9 m-85 -75.04 154.58 37.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -47.19 -20.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.13 16.1 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.7 m 55.21 25.49 7.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.3 m -104.24 126.39 51.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -96.59 126.86 42.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -147.16 138.67 24.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -78.93 101.86 7.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.462 HG23 ' CB ' ' A' ' 22' ' ' ALA . 4.9 t -89.05 140.54 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.13 143.63 52.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.509 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 40.7 m0 -50.55 -26.48 5.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -86.37 -23.48 26.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.93 -12.56 41.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.561 HG22 ' CE1' ' A' ' 14' ' ' PHE . 10.7 mt -91.72 110.27 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.472 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 6.3 tt0 -83.75 135.85 34.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.0 p -107.27 96.07 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.51 -175.95 37.18 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 66' ' ' THR . . . -156.79 159.61 38.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 65' ' ' ALA . 15.0 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -100.1 175.98 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -76.59 -50.44 13.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.12 154.94 31.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 6' ' ' SER . 88.8 p -132.46 145.24 51.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.866 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 5' ' ' SER . 35.7 t -36.77 125.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.48 123.67 4.82 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.7 161.84 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 ptmm? -143.48 131.54 11.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.55 0.691 . . . . 0.0 110.901 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -173.21 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.647 2.231 . . . . 0.0 112.372 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' CYS . . . 71.23 44.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.056 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 11' ' ' ALA . 29.5 p -36.71 146.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.0 pttt -81.32 -39.69 24.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.429 ' CE1' HG21 ' A' ' 61' ' ' ILE . 67.5 m-85 -63.9 172.35 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -128.17 147.14 50.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -77.14 131.48 38.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.46 26.84 62.54 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -102.2 122.22 43.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -69.16 125.05 25.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.5 m -148.45 173.93 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.2 mt -103.56 117.79 35.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.547 ' HB1' ' CZ ' ' A' ' 48' ' ' PHE . . . -105.26 145.7 30.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -92.23 112.71 24.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -70.22 172.43 8.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.7 m -57.3 -27.93 62.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -64.9 -30.56 71.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.08 -13.34 21.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.435 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.5 mt -89.1 156.28 18.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 27.0 m-85 -95.02 138.09 33.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.435 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 57.1 m-85 -128.04 158.29 38.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.967 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.421 ' C ' ' CD2' ' A' ' 31' ' ' LEU . 4.9 tt -77.68 132.1 38.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.404 ' N ' HD22 ' A' ' 31' ' ' LEU . . . -158.03 172.91 35.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.8 m -123.14 132.78 54.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.733 0.301 . . . . 0.0 111.161 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.4 133.73 28.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -122.24 -33.85 3.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -147.52 155.9 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.9 mt -132.6 107.79 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -99.19 119.17 37.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.8 mt -83.11 -37.31 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mt -56.81 -47.61 79.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -94.49 -3.79 49.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 56.17 44.47 25.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.0 p -131.01 179.82 5.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.511 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 13.2 m -151.06 129.63 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.493 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.4 t80 -78.15 97.3 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 47' ' ' ILE . 20.1 mt -107.31 144.41 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.443 ' N ' HG22 ' A' ' 46' ' ' ILE . 12.1 mt -104.8 110.01 29.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.547 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 66.3 m-85 -73.07 152.96 41.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -45.7 -21.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -81.81 16.49 1.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' PHE . 6.3 m 54.38 25.0 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 m -104.52 126.68 51.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.493 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.11 128.72 43.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -148.04 129.96 15.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.803 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -70.85 101.97 2.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.462 HG21 ' CB ' ' A' ' 22' ' ' ALA . 6.3 t -89.49 143.19 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -74.25 143.42 45.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.511 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 43.6 m0 -50.1 -31.47 13.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -83.79 -20.02 34.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -93.29 -9.55 38.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.429 HG21 ' CE1' ' A' ' 14' ' ' PHE . 13.7 mt -94.16 109.27 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.518 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.9 tt0 -85.04 140.96 30.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 75.6 p -117.72 96.43 5.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.99 -90.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.13 108.38 9.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 111.128 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.7 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.895 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.2 p -101.54 119.33 38.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -91.85 170.3 9.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.39 137.04 24.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -87.51 98.43 11.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.81 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 t -109.98 84.29 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.96 -95.85 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -53.94 134.17 43.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.349 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' CD ' ' HD2' ' A' ' 10' ' ' PRO . 4.0 tppp? -125.77 137.18 29.51 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.926 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.462 ' HD2' ' CD ' ' A' ' 9' ' ' LYS . 53.3 Cg_endo -69.78 132.29 22.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.301 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.95 163.42 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.4 p -70.26 160.94 31.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -102.16 -36.81 8.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CE1' HG21 ' A' ' 61' ' ' ILE . 64.9 m-85 -65.99 173.67 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -123.44 143.67 50.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.7 130.62 40.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.81 27.89 59.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -104.93 121.62 44.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.325 . . . . 0.0 110.931 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.27 126.82 30.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.0 m -147.48 170.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 mt -99.99 112.72 25.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.465 ' CB ' HG23 ' A' ' 56' ' ' VAL . . . -100.87 143.57 30.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -91.05 113.67 26.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.16 172.1 8.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 m -56.42 -30.36 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -61.72 -33.83 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.91 -13.42 12.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.1 mt -89.0 157.79 18.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 110.949 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.448 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 25.2 m-85 -96.45 138.7 33.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -129.4 159.86 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.3 tt -77.57 135.0 38.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.36 171.04 36.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.468 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.437 ' N ' HG21 ' A' ' 46' ' ' ILE . 50.4 m -121.04 132.48 54.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 111.17 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.401 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 77.8 mt -63.91 121.39 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 9.9 mmmt -108.32 -40.0 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 18.3 mtmm -142.85 162.12 36.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.8 mt -139.08 109.94 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.458 ' ND2' ' HB2' ' A' ' 41' ' ' LYS . 62.5 t-20 -100.45 110.85 23.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.521 ' HA ' ' CZ2' ' A' ' 58' ' ' TRP . 13.6 mt -73.65 -39.8 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mt -59.13 -46.56 88.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.458 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 4.1 mmpt? -88.85 -7.92 55.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 58.63 38.91 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.6 p -129.53 -177.76 4.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.514 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 10.4 m -153.62 127.74 9.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.7 t80 -76.47 96.9 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.437 HG21 ' N ' ' A' ' 33' ' ' THR . 25.1 mt -105.93 145.44 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.1 mt -105.85 111.2 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.404 ' C ' ' N ' ' A' ' 50' ' ' ASP . 72.5 m-85 -74.81 153.28 38.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -45.8 -21.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' PHE . 30.6 t70 -81.65 16.5 1.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' PHE . 9.5 m 54.57 25.02 5.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.5 m -103.64 126.39 50.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.7 mtpt -96.84 126.9 42.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -145.9 140.61 27.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -81.13 101.93 9.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.465 HG23 ' CB ' ' A' ' 22' ' ' ALA . 4.1 t -89.75 143.87 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.172 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.0 mt -73.79 142.7 46.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.521 ' CZ2' ' HA ' ' A' ' 39' ' ' ILE . 42.2 m0 -49.92 -26.56 4.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -85.75 -25.01 26.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.916 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -87.28 -15.2 38.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.494 HG21 ' CE1' ' A' ' 14' ' ' PHE . 13.5 mt -87.82 112.17 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.448 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 11.1 tt0 -86.99 138.02 31.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.1 p -113.96 96.04 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.87 -93.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.488 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -129.82 172.11 12.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.0 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.178 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -98.81 154.96 17.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m -58.54 106.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.4 151.33 32.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.538 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -120.72 100.97 7.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -53.16 123.16 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.09 45.65 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.468 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -40.71 105.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -49.25 157.77 0.82 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 110.924 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 133.51 25.8 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -102.05 34.24 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.0 p -139.43 165.68 26.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.89 -43.08 4.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.489 ' CE1' HG22 ' A' ' 61' ' ' ILE . 66.2 m-85 -52.83 170.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -125.09 141.68 51.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -73.77 128.56 35.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.14 30.01 55.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -106.3 125.64 51.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.2 127.62 33.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.8 m -150.06 173.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.3 mt -102.79 112.62 25.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . . . -99.68 142.34 31.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -90.36 113.97 25.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -70.81 171.74 10.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t -54.86 -36.6 65.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.75 -30.48 63.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.91 -11.78 22.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.443 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.7 mt -89.51 156.3 18.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.452 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 23.8 m-85 -94.08 143.96 25.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -133.76 160.54 37.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 tt -80.78 131.61 35.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.14 169.64 34.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.471 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.0 m -119.99 127.66 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 111.181 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.5 mt -65.52 134.26 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -124.48 -31.75 3.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 28.9 mtmt -145.73 157.82 43.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.6 mt -135.33 113.71 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -103.89 111.28 23.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.538 ' HA ' ' CZ2' ' A' ' 58' ' ' TRP . 12.9 mt -74.67 -40.35 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mt -58.91 -45.87 89.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -90.99 -2.16 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 52.17 42.43 30.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.8 p -133.75 178.57 6.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.504 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 27.3 m -149.58 131.84 15.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.477 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.58 96.75 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 47' ' ' ILE . 19.2 mt -110.31 141.68 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.44 ' N ' HG22 ' A' ' 46' ' ' ILE . 10.8 mt -101.46 110.19 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 22' ' ' ALA . 82.8 m-85 -73.59 152.77 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.32 -22.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 48' ' ' PHE . 22.1 t70 -81.36 17.33 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' PHE . 87.0 p 52.89 25.92 4.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.1 m -104.64 126.65 51.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.2 mtpt -95.92 127.44 41.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -149.69 135.03 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -71.98 102.05 2.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.469 HG21 ' CB ' ' A' ' 22' ' ' ALA . 18.5 t -86.68 137.19 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 60' ' ' ASP . 88.2 mt -68.88 138.2 54.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.538 ' CZ2' ' HA ' ' A' ' 39' ' ' ILE . 41.8 m0 -46.93 -30.0 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.99 -28.12 35.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 57' ' ' LEU . 88.8 m-20 -85.93 -14.13 45.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.489 HG22 ' CE1' ' A' ' 14' ' ' PHE . 10.9 mt -89.64 110.28 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.452 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 4.6 tt0 -83.91 128.77 34.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.1 p -99.19 99.71 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.129 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.54 98.78 0.69 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.15 165.76 34.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 111.086 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.2 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 -179.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -130.91 131.83 44.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 0.0 110.83 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -115.38 89.25 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.2 -150.2 25.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -95.99 105.19 17.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.856 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 p -54.19 152.21 6.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.84 57.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.549 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -148.31 111.91 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.1 145.45 38.18 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.572 0.701 . . . . 0.0 110.932 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.33 47.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -169.85 121.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.445 ' N ' HD13 ' A' ' 39' ' ' ILE . 16.2 p -74.38 173.76 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.27 -26.93 4.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -67.84 168.5 11.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -116.21 140.92 48.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -75.25 122.32 23.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.03 21.03 47.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.498 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -100.77 123.96 45.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 110.942 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -70.02 136.78 50.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.4 m -156.93 172.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.0 mt -100.13 112.62 24.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.507 ' HB1' ' CE2' ' A' ' 48' ' ' PHE . . . -99.81 139.43 35.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -88.97 114.0 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -70.19 173.02 7.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -55.88 -33.78 64.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.11 -27.5 67.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.72 -11.94 30.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt -88.14 155.34 19.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.87 0.367 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 21.3 m-85 -94.49 141.68 28.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -131.98 162.13 31.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 tt -80.09 128.36 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.43 167.78 31.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.421 ' N ' HG21 ' A' ' 46' ' ' ILE . 67.6 m -120.56 129.81 53.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 111.099 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.408 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 92.9 mt -63.38 123.88 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.408 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 10.7 mmmm -111.86 -38.29 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 15.4 mtpp -139.54 166.97 23.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.4 mt -140.41 123.44 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -117.5 120.68 38.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.445 HD13 ' N ' ' A' ' 12' ' ' CYS . 8.0 mt -86.45 -35.47 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 mt -59.89 -43.47 94.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -101.09 3.8 41.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 47.67 47.14 18.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.0 p -131.29 176.7 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.543 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 18.6 m -149.9 129.35 13.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.522 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.79 93.9 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.421 HG21 ' N ' ' A' ' 33' ' ' THR . 22.7 mt -105.58 141.69 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 mt -101.57 109.42 25.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.507 ' CE2' ' HB1' ' A' ' 22' ' ' ALA . 66.6 m-85 -72.87 151.63 41.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.88 -21.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 48' ' ' PHE . 15.4 t70 -80.18 14.39 1.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' PHE . 8.0 m 56.21 25.01 8.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.9 m -105.32 126.53 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.522 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.8 mtpt -95.77 129.33 43.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -150.76 136.09 17.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -74.41 101.57 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.445 HG23 ' CB ' ' A' ' 22' ' ' ALA . 15.3 t -87.87 138.5 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.2 mt -68.41 141.76 55.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.543 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 40.5 m0 -50.39 -21.87 1.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -28.97 19.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.05 -7.31 58.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.0 mt -96.0 106.44 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.469 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 13.2 tt0 -83.09 118.76 23.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.0 p -86.78 101.0 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.93 147.2 16.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -120.26 143.79 48.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.182 -179.93 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 1' ' ' GLY . 49.1 m -36.71 115.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -122.41 97.16 5.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.77 -139.26 2.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m 51.74 41.93 29.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.83 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -108.13 -49.35 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.44 -126.94 8.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -46.99 99.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -109.33 154.98 41.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.566 0.698 . . . . 0.0 110.87 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -176.61 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.702 2.268 . . . . 0.0 112.372 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -109.68 165.9 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.9 p -70.33 178.84 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.0 pttt -133.12 -36.32 1.02 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.526 ' CE1' HG23 ' A' ' 61' ' ' ILE . 67.4 m-85 -62.22 172.16 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -122.31 145.06 48.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -74.72 129.88 38.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.41 29.1 60.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -103.53 120.73 41.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.54 120.34 15.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.5 m -140.75 178.28 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.0 mt -105.74 112.47 25.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . . . -100.67 142.43 32.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.46 ' HG3' ' CE1' ' A' ' 29' ' ' PHE . 5.6 ttt180 -90.32 112.18 23.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.19 173.55 6.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -57.57 -31.48 66.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.7 -26.13 68.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.6 -13.15 32.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -86.99 156.19 19.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.46 ' CE1' ' HG3' ' A' ' 23' ' ' ARG . 24.4 m-85 -98.3 134.09 41.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.413 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 54.0 m-85 -123.39 162.63 22.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.434 ' C ' ' CD2' ' A' ' 31' ' ' LEU . 4.6 tt -81.98 131.07 35.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.408 ' N ' HD21 ' A' ' 31' ' ' LEU . . . -155.16 172.08 33.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.458 ' N ' HG21 ' A' ' 46' ' ' ILE . 65.5 m -121.78 130.86 53.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.739 0.304 . . . . 0.0 111.128 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.423 HG21 ' N ' ' A' ' 35' ' ' LYS . 85.8 mt -65.15 133.89 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.461 ' CD ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -123.19 -35.68 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 24.2 mtmm -144.01 153.95 42.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.6 mt -131.2 113.61 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -103.13 124.43 48.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.4 mt -86.94 -37.26 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.8 mt -57.52 -49.68 75.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -93.59 -0.11 56.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 51.86 45.33 28.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.4 p -129.68 178.67 6.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.484 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 9.7 m -149.94 129.34 12.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.477 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.98 97.77 4.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.458 HG21 ' N ' ' A' ' 33' ' ' THR . 24.5 mt -109.27 145.98 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.461 HD12 ' CD ' ' A' ' 35' ' ' LYS . 10.2 mt -105.75 113.71 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 76.6 m-85 -77.78 153.17 33.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -45.71 -21.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 48' ' ' PHE . 10.8 t70 -81.82 16.79 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.5 p 53.44 27.78 6.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.5 m -107.53 125.95 51.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -95.92 125.95 40.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -145.37 135.21 23.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -75.26 101.91 4.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.463 HG21 ' CB ' ' A' ' 22' ' ' ALA . 6.4 t -87.46 148.33 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 88.8 mt -77.63 140.82 39.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.484 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 41.1 m0 -47.67 -28.57 2.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -85.72 -26.67 25.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.06 -12.79 52.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.526 HG23 ' CE1' ' A' ' 14' ' ' PHE . 11.3 mt -91.06 110.22 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -83.25 134.77 34.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 46.9 p -108.19 100.97 10.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.74 95.72 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -132.08 140.27 48.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 -179.907 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 p -171.11 155.01 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -75.96 85.19 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.15 104.94 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.5 p -71.99 94.91 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.388 . . . . 0.0 110.894 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.4 p -169.69 158.83 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -142.0 -141.61 3.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 7' ' ' GLY . 45.1 mtmt -35.82 126.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 152.39 94.83 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.583 0.706 . . . . 0.0 110.876 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -174.47 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.361 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.4 175.02 9.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.068 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.3 p -119.9 166.17 13.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -112.22 -36.97 5.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.51 ' CE1' HG21 ' A' ' 61' ' ' ILE . 67.7 m-85 -54.19 175.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.448 ' C ' ' OE1' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -128.61 152.1 48.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -84.51 122.14 28.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.77 21.11 48.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -100.97 123.48 45.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.772 0.32 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -69.18 129.79 40.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.8 m -149.32 175.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.7 mt -105.38 113.98 27.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.468 ' CB ' HG23 ' A' ' 56' ' ' VAL . . . -101.91 145.13 29.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -93.1 113.89 26.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -70.91 172.78 8.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -56.58 -32.77 65.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -60.91 -27.62 68.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.15 -9.53 31.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.5 mt -90.88 156.83 17.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.9 m-85 -96.31 138.46 33.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.428 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 54.5 m-85 -128.86 162.96 26.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 tt -81.2 135.48 35.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.1 168.26 36.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.438 ' N ' HG21 ' A' ' 46' ' ' ILE . 88.9 m -119.65 130.31 55.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.327 . . . . 0.0 111.199 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.59 133.94 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -122.36 -33.06 3.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 15.1 mtmm -144.17 163.37 33.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.2 mt -137.94 112.65 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' A' ' 41' ' ' LYS . 49.1 t-20 -103.0 121.89 43.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.467 ' HA ' ' CZ2' ' A' ' 58' ' ' TRP . 16.8 mt -87.69 -33.89 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.4 -45.82 91.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 72.7 mttt -93.17 -7.8 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 59.73 43.37 15.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.5 p -133.61 176.31 8.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.469 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 32.6 m -144.16 131.31 20.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.56 ' CE2' ' HD3' ' A' ' 53' ' ' LYS . 1.4 t80 -76.68 96.54 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.438 HG21 ' N ' ' A' ' 33' ' ' THR . 20.0 mt -111.07 142.46 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.478 ' CG1' ' HG2' ' A' ' 53' ' ' LYS . 3.3 mt -104.04 109.82 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 22' ' ' ALA . 68.4 m-85 -71.58 153.09 42.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' OE1' ' C ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -45.78 -21.47 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 48' ' ' PHE . 40.3 m-20 -81.71 16.06 1.93 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' PHE . 13.7 m 53.33 29.73 9.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -112.44 120.84 43.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.56 ' HD3' ' CE2' ' A' ' 45' ' ' PHE . 15.0 mttt -86.86 134.63 33.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -153.16 123.95 7.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -67.67 101.85 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.468 HG23 ' CB ' ' A' ' 22' ' ' ALA . 18.1 t -89.26 137.53 21.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.88 141.07 56.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.469 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 45.9 m0 -48.74 -31.96 7.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.51 -25.05 38.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -88.59 -13.35 40.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.51 HG21 ' CE1' ' A' ' 14' ' ' PHE . 13.8 mt -90.17 111.82 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.467 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.4 tt0 -84.95 136.59 33.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.2 p -110.91 95.55 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.47 -83.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -136.23 148.21 47.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.37 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.1 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 -179.885 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -95.27 -52.67 4.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.91 0.386 . . . . 0.0 110.887 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -85.37 135.81 33.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.32 164.64 12.8 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -78.4 108.97 12.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 0.0 110.878 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -111.9 41.57 1.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.25 -149.31 38.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -128.1 155.06 45.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -109.09 143.45 27.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.516 0.674 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 107.61 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.357 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -152.71 154.53 35.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.7 p -141.31 142.62 33.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -108.55 -26.3 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -51.4 167.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -124.81 140.55 52.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -73.16 133.78 44.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.25 26.18 74.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -101.37 126.64 48.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.83 132.41 46.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.3 m -154.4 171.79 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.5 mt -102.15 113.82 27.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -101.92 144.19 30.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ttm-85 -91.08 111.87 23.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.15 172.26 8.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t -55.77 -29.92 60.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -65.0 -26.21 68.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.64 -14.03 32.48 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.5 mt -85.47 157.04 20.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -98.77 133.17 43.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -122.87 161.32 24.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.407 HD21 ' N ' ' A' ' 32' ' ' GLY . 5.9 tt -80.7 133.53 35.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.407 ' N ' HD21 ' A' ' 31' ' ' LEU . . . -158.45 174.45 35.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.458 ' N ' HG22 ' A' ' 46' ' ' ILE . 94.6 m -124.61 131.14 53.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.753 0.311 . . . . 0.0 111.136 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 82.0 mt -63.24 132.24 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 -36.18 3.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -145.39 155.2 43.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.5 mt -132.12 108.73 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -97.11 112.27 24.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.4 mt -75.57 -38.02 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.92 -45.24 94.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -90.03 -9.28 49.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 59.47 39.01 22.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.2 p -128.83 -178.37 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.498 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 25.3 m -151.36 127.99 10.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.97 95.71 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 33' ' ' THR . 20.2 mt -105.66 147.18 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.0 mt -107.06 109.88 29.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 22' ' ' ALA . 71.6 m-85 -73.83 152.94 40.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -45.56 -21.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' PHE . 1.1 m-20 -81.73 16.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' PHE . 8.9 m 53.69 27.87 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.4 m -107.33 126.34 52.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.815 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.6 mtpt -96.25 126.74 41.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -145.85 135.99 23.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -75.13 101.82 4.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.465 HG21 ' CB ' ' A' ' 22' ' ' ALA . 11.0 t -89.74 138.89 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.68 140.8 53.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.498 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 41.4 m0 -47.59 -32.11 5.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -25.07 33.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -87.31 -9.88 53.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.409 HG13 ' CG1' ' A' ' 56' ' ' VAL . 14.7 mt -94.46 111.19 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -84.62 125.8 32.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.5 p -98.5 99.01 10.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.41 124.95 37.64 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -106.99 133.66 51.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.788 0.328 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.882 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 m -82.64 99.66 9.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.869 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 p 37.97 41.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.91 -55.61 2.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 p -68.04 -51.86 42.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -166.29 157.06 12.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.56 -101.07 0.14 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 tptt -86.28 149.52 25.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 36.3 ttmt -101.63 140.1 20.94 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.604 0.716 . . . . 0.0 110.861 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 53.5 Cg_endo -69.78 153.49 68.77 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.686 2.258 . . . . 0.0 112.347 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.418 ' C ' HD12 ' A' ' 39' ' ' ILE . . . -147.94 156.25 42.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 24.1 p -99.57 172.89 7.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -125.58 -34.87 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CE1' HG23 ' A' ' 61' ' ' ILE . 66.4 m-85 -61.63 171.67 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -121.21 146.35 46.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -74.08 132.85 42.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.08 31.41 66.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -105.03 122.87 46.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -69.5 120.45 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.2 m -141.25 173.67 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 mt -103.11 114.49 28.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.471 ' CB ' HG23 ' A' ' 56' ' ' VAL . . . -104.85 140.06 38.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -88.73 114.67 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -70.38 171.43 10.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 m -55.31 -29.82 59.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.17 -34.12 75.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.49 -14.37 11.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.6 mt -88.41 156.34 19.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -95.03 138.89 32.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -129.45 158.92 37.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.7 tt -78.06 134.76 37.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.65 168.9 35.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.455 ' N ' HG21 ' A' ' 46' ' ' ILE . 86.5 m -118.59 131.99 56.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 111.146 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.1 mt -65.54 129.22 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.448 ' CD ' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -117.62 -32.89 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 16.4 mtpp -145.16 156.28 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.6 mt -133.62 106.94 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -100.06 120.59 40.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.439 ' HA ' ' CZ2' ' A' ' 58' ' ' TRP . 17.0 mt -86.69 -34.32 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 mt -61.2 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -96.91 -4.47 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 56.73 43.57 25.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.0 p -131.53 -179.99 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.536 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 18.2 m -152.19 127.91 10.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.478 ' CB ' ' HB2' ' A' ' 36' ' ' LYS . 1.6 t80 -76.61 96.0 4.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 33' ' ' THR . 20.9 mt -107.25 146.46 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.448 HD11 ' CD ' ' A' ' 35' ' ' LYS . 9.7 mt -106.85 111.66 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.402 ' C ' ' N ' ' A' ' 50' ' ' ASP . 70.6 m-85 -74.45 153.08 39.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -46.16 -21.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 48' ' ' PHE . 12.6 m-20 -81.06 15.14 1.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.6 m 56.03 26.42 9.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.2 m -105.3 126.46 52.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.475 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -96.7 126.82 42.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -148.36 138.23 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -77.55 102.0 6.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.471 HG23 ' CB ' ' A' ' 22' ' ' ALA . 7.4 t -88.85 136.39 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.95 143.29 55.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.536 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 44.8 m0 -50.95 -30.42 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -81.7 -23.97 36.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.925 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -91.27 -8.8 47.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.494 HG23 ' CE1' ' A' ' 14' ' ' PHE . 14.5 mt -94.36 111.8 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -82.41 139.7 33.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.6 p -110.39 95.28 5.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.93 -173.54 43.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.27 173.97 7.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.161 -179.921 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -112.53 42.14 1.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -122.22 101.84 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.816 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.88 96.63 0.19 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 m -119.81 103.01 8.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -148.88 131.72 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.57 79.09 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 mmtt -147.4 121.16 9.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.75 154.27 94.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.931 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 115.56 4.14 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.281 . . . . 0.0 112.372 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -123.72 149.84 45.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 27.9 p -106.44 81.09 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.42 -24.02 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.421 ' CE1' HG21 ' A' ' 61' ' ' ILE . 66.3 m-85 -66.45 171.77 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -132.09 149.82 52.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.79 130.44 35.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.77 29.56 57.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -109.16 124.66 51.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -69.05 136.0 51.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.3 m -156.03 176.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.7 mt -105.53 113.72 27.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.461 ' CB ' HG22 ' A' ' 56' ' ' VAL . . . -100.35 142.85 31.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -91.1 112.32 24.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -70.17 172.26 8.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -52.71 -41.75 64.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -54.48 -24.15 19.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.09 -8.08 41.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.5 mt -88.88 158.15 18.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -98.67 141.59 31.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -132.85 161.55 33.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 tt -78.63 133.7 37.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.77 173.77 35.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.46 ' N ' HG23 ' A' ' 46' ' ' ILE . 90.7 m -124.32 129.78 51.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.134 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.4 mt -66.21 127.69 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -117.42 -32.45 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.474 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 13.6 mtpp -144.97 156.65 44.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mt -134.58 107.52 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -99.36 117.82 34.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.485 ' HA ' ' CZ2' ' A' ' 58' ' ' TRP . 16.9 mt -83.02 -35.3 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.79 -47.35 86.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -93.85 -2.24 53.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 54.93 43.3 30.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.5 p -131.41 178.4 6.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.51 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 12.6 m -150.48 130.35 13.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.474 ' CB ' ' HB2' ' A' ' 36' ' ' LYS . 1.8 t80 -76.91 98.97 5.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 33' ' ' THR . 28.4 mt -110.22 149.04 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mt -110.62 111.2 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.452 ' CE2' ' HB1' ' A' ' 22' ' ' ALA . 83.2 m-85 -74.45 151.96 39.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -45.11 -21.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 48' ' ' PHE . 22.2 t70 -80.69 14.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 48' ' ' PHE . 6.9 m 55.95 25.18 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -104.48 126.17 51.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.43 127.16 42.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -148.19 131.99 17.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -72.88 102.36 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.461 HG22 ' CB ' ' A' ' 22' ' ' ALA . 2.9 t -89.94 141.18 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.407 HD12 ' CE ' ' A' ' 59' ' ' LYS . 97.7 mt -71.1 144.83 50.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.51 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 44.4 m0 -50.62 -29.17 10.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' CE ' HD12 ' A' ' 57' ' ' LEU . 15.3 pttt -81.56 -22.84 37.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -90.07 -18.53 25.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.421 HG21 ' CE1' ' A' ' 14' ' ' PHE . 16.2 mt -87.3 110.7 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.09 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -87.12 124.32 33.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.7 p -90.58 98.12 11.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.05 -137.72 8.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 72.79 40.54 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -179.903 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -117.52 166.68 12.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.908 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 p -51.57 -45.94 63.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.6 -45.19 2.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -101.34 99.07 9.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 m -124.39 114.35 19.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.75 178.44 13.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -160.07 143.37 13.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -121.09 150.25 53.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 151.6 69.3 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.743 2.296 . . . . 0.0 112.335 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.23 173.36 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 24.5 p -91.54 177.93 6.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.19 -32.06 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.512 ' CE1' HG21 ' A' ' 61' ' ' ILE . 68.6 m-85 -55.12 174.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -127.43 138.01 52.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.64 130.25 42.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.28 32.11 56.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -108.92 124.49 50.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.69 134.05 48.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.0 m -155.89 173.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 mt -103.27 115.55 30.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -103.12 143.14 32.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -90.0 112.24 23.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -70.08 172.62 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -55.02 -33.34 62.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.31 -27.27 68.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.43 -13.14 30.63 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.538 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.0 mt -86.4 157.84 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 110.948 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.1 m-85 -97.94 138.17 35.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -128.93 159.98 34.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 tt -77.87 133.02 38.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.44 172.77 34.86 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.456 ' N ' HG23 ' A' ' 46' ' ' ILE . 89.4 m -124.16 131.65 53.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 111.117 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.422 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 74.2 mt -62.42 126.22 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 8.0 mmmt -114.96 -33.03 5.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 14.8 mtpp -146.66 165.16 30.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 57.6 mt -140.82 107.25 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -97.94 111.29 23.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.428 ' HA ' ' CZ2' ' A' ' 58' ' ' TRP . 8.1 mt -73.5 -41.01 56.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 mt -60.87 -47.75 84.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.976 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -85.12 -7.74 58.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 56.72 33.41 22.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.3 p -124.57 -177.33 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.519 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 18.7 m -151.73 128.88 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.507 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.4 t80 -76.65 95.77 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 33' ' ' THR . 19.6 mt -105.51 146.12 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.18 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mt -106.41 112.03 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 22' ' ' ALA . 72.9 m-85 -75.92 152.34 37.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -45.15 -21.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' PHE . 7.8 m-20 -80.74 14.85 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 48' ' ' PHE . 13.4 p 55.77 24.99 7.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.8 m -105.09 126.17 51.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.507 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 6.1 mtpt -95.66 128.32 42.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -146.61 136.8 23.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -76.14 102.07 5.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.433 HG21 ' CB ' ' A' ' 22' ' ' ALA . 11.2 t -87.95 147.94 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.9 mt -78.28 140.54 38.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.519 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 40.3 m0 -48.96 -29.59 4.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -86.33 -23.07 26.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.18 -12.18 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.512 HG21 ' CE1' ' A' ' 14' ' ' PHE . 12.9 mt -90.43 108.75 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.443 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.8 tt0 -86.69 123.8 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.2 p -92.93 95.04 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.59 95.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -99.02 39.39 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.826 0.346 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.7 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.136 -179.919 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 p -121.61 -15.36 8.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 m 39.42 46.1 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.66 173.33 23.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -47.06 166.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 t -138.08 145.72 42.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.14 40.84 3.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -117.16 151.26 37.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.341 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -145.92 138.24 13.61 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 102.96 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.25 87.58 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 24.9 p -114.9 158.31 22.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -94.97 -34.62 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.541 ' CE1' HG21 ' A' ' 61' ' ' ILE . 66.5 m-85 -71.52 170.6 13.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -123.25 146.76 47.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -77.83 128.14 33.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.15 29.07 57.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -107.43 124.41 49.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.318 . . . . 0.0 110.918 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.15 132.64 46.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.4 m -152.56 174.76 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.0 mt -103.47 114.46 28.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.497 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . . . -102.4 142.81 33.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.5 ttm-85 -91.05 112.18 23.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -70.19 172.07 8.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -55.33 -32.86 62.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.42 -27.8 68.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.15 -8.64 31.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.1 mt -91.06 156.36 17.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.837 0.351 . . . . 0.0 110.928 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.491 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.3 m-85 -96.05 138.59 33.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -129.14 161.63 29.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.405 ' C ' ' CD2' ' A' ' 31' ' ' LEU . 5.7 tt -80.4 131.24 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.4 ' N ' HD21 ' A' ' 31' ' ' LEU . . . -156.16 168.87 33.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.427 ' N ' HG23 ' A' ' 46' ' ' ILE . 97.9 m -119.56 130.94 55.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 111.154 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.93 130.99 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -119.95 -34.89 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 20.3 mtpt -141.64 156.62 45.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.2 mt -134.45 106.32 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -96.82 124.07 40.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.8 mt -88.7 -33.07 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.47 -45.12 92.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -95.07 -3.94 47.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 55.82 39.59 30.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.3 p -125.93 179.75 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.514 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 13.3 m -150.59 128.6 11.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.496 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.9 t80 -76.69 96.82 4.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 33' ' ' THR . 25.1 mt -109.03 147.82 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.5 mt -108.62 111.26 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.497 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 77.8 m-85 -74.51 152.53 39.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -45.58 -21.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' PHE . 3.7 m-20 -81.29 15.92 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' PHE . 10.8 p 54.47 28.62 9.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -107.76 126.12 52.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.41 125.91 41.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -147.23 137.36 23.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -76.12 101.59 5.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.469 HG23 ' CB ' ' A' ' 22' ' ' ALA . 5.3 t -88.83 135.22 26.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.86 142.04 57.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.514 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 44.7 m0 -48.86 -29.83 5.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -81.54 -25.86 35.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.69 -13.19 43.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.541 HG21 ' CE1' ' A' ' 14' ' ' PHE . 12.5 mt -91.69 111.53 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.491 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.3 tt0 -86.79 140.08 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.3 p -112.77 95.6 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.14 -159.47 0.14 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.512 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.04 139.5 30.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 -179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 p -66.59 160.33 25.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.387 . . . . 0.0 110.849 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.7 m -71.96 138.04 47.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.818 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -138.55 -81.54 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 90.2 p 36.39 42.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.388 . . . . 0.0 110.871 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -95.81 143.2 27.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.04 -93.61 0.14 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -85.17 157.55 20.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 74.8 tttt -101.76 140.83 21.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.588 0.709 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 53.4 Cg_endo -69.79 135.04 29.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.712 2.275 . . . . 0.0 112.308 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -174.75 151.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.7 p -88.87 166.53 13.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -125.34 -25.54 3.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.486 ' CE1' HG22 ' A' ' 61' ' ' ILE . 63.9 m-85 -58.82 167.55 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -118.32 146.96 43.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -78.55 125.28 29.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.41 27.13 49.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.53 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -104.51 125.12 50.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.42 134.34 48.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.6 m -155.27 174.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.3 mt -104.18 112.76 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.462 ' CB ' HG21 ' A' ' 56' ' ' VAL . . . -100.3 140.93 33.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -89.66 114.26 25.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -70.08 173.09 6.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 p -55.02 -35.53 64.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.33 -28.83 65.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.67 -10.42 27.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.15 156.8 18.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.81 0.338 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 24.3 m-85 -95.96 140.55 30.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.843 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.426 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 58.5 m-85 -131.09 161.92 31.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.933 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt -79.2 129.36 34.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.2 171.07 33.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.466 ' N ' HG23 ' A' ' 46' ' ' ILE . 59.8 m -122.29 132.38 54.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.103 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.41 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 92.3 mt -65.22 122.18 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 10.8 mmmm -109.97 -35.07 6.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 31.7 mtpt -142.59 165.93 26.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.2 mt -140.97 115.01 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -109.11 126.44 53.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.8 mt -91.6 -35.02 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.2 mt -59.1 -41.47 88.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -103.32 1.32 32.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 51.33 43.18 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.1 p -127.16 178.77 5.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.551 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 15.2 m -151.77 128.96 11.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.528 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.7 t80 -76.54 95.09 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 33' ' ' THR . 24.0 mt -105.88 146.27 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mt -106.92 110.66 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.426 ' CD2' ' HB2' ' A' ' 30' ' ' TYR . 71.6 m-85 -73.48 154.82 39.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -47.63 -22.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' OD1' ' CB ' ' A' ' 52' ' ' SER . 28.6 p30 -79.86 12.76 2.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 p 58.17 25.74 12.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.464 ' CB ' ' OD1' ' A' ' 50' ' ' ASP . 5.4 m -105.25 126.42 52.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.528 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -95.76 127.91 42.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -148.99 133.61 17.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -72.72 103.21 3.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.462 HG21 ' CB ' ' A' ' 22' ' ' ALA . 16.5 t -89.3 145.16 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 75.3 mt -75.23 141.62 43.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.551 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 44.0 m0 -50.01 -32.68 15.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -81.63 -20.32 39.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.26 -15.02 26.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.486 HG22 ' CE1' ' A' ' 14' ' ' PHE . 16.3 mt -88.79 107.81 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.465 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 8.4 tt0 -86.59 112.92 22.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.0 p -68.31 100.26 1.03 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.19 81.55 0.31 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.32 123.84 47.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 111.086 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.91 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 pttp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -53.1 174.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.445 ' OE1' ' C ' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -132.42 147.49 52.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -82.52 121.18 26.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.34 16.88 48.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.535 ' HB3' HD12 ' A' ' 34' ' ' ILE . 33.6 tt0 -96.52 123.59 40.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.26 121.7 19.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.0 m -141.26 173.95 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.0 mt -103.25 113.66 27.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.769 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -101.92 144.16 30.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -90.96 113.61 25.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -70.21 172.1 8.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -56.48 -30.52 63.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -61.65 -34.48 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.36 -13.0 12.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.53 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.0 mt -89.35 156.32 18.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.847 0.356 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 25.0 m-85 -95.01 138.21 33.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -128.98 160.47 32.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.823 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.5 tt -79.01 135.64 36.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.823 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -160.21 165.89 35.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.485 ' N ' HG23 ' A' ' 46' ' ' ILE . 91.1 m -116.02 130.83 56.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.689 0.281 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 18' ' ' GLN . 80.0 mt -63.77 128.05 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.134 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.929 ' HD2' HD12 ' A' ' 47' ' ' ILE . 8.6 mmpt? -116.16 -37.45 3.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 20.7 mtmt -143.08 160.15 40.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.2 mt -137.46 108.44 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -99.57 117.18 33.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.463 HG23 ' CH2' ' A' ' 58' ' ' TRP . 15.1 mt -81.67 -35.18 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.21 -43.72 95.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -97.71 -4.55 37.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 56.84 43.43 24.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.463 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 14.1 p -129.5 179.16 5.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.548 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 25.5 m -151.52 128.03 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.81 97.18 4.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.485 HG23 ' N ' ' A' ' 33' ' ' THR . 21.5 mt -107.82 145.18 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.929 HD12 ' HD2' ' A' ' 35' ' ' LYS . 9.9 mt -105.93 111.66 35.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 75.0 m-85 -74.92 152.85 38.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -45.68 -21.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' PHE . 55.9 m-20 -81.11 14.99 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' PHE . 14.0 m 55.74 25.71 8.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.4 m -105.3 126.56 52.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.472 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.8 mtpt -96.09 127.44 42.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -146.92 132.89 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -73.81 102.01 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.769 HG21 ' HB1' ' A' ' 22' ' ' ALA . 11.2 t -88.69 144.85 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.5 141.33 41.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 44.2 m0 -48.77 -30.35 5.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 pttm -82.88 -24.38 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -89.83 -12.7 38.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.575 HG13 HG12 ' A' ' 56' ' ' VAL . 14.6 mt -91.43 109.75 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.453 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.7 tt0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 14' ' ' PHE . 21.7 pttp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.428 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 67.4 m-85 -48.58 172.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -125.86 142.95 51.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -73.08 129.87 39.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.32 27.53 55.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HB3' HD12 ' A' ' 34' ' ' ILE . 34.3 tt0 -102.47 121.55 42.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.02 116.67 12.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -136.88 179.7 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.9 mt -109.46 112.46 24.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.683 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.56 144.13 29.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -91.17 112.87 24.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.32 171.91 9.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t -55.36 -30.91 61.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.12 -27.28 69.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.44 -13.91 30.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.8 mt -86.68 155.71 20.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.5 m-85 -95.76 138.48 33.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -129.53 159.21 37.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.761 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.3 tt -77.86 133.49 38.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.761 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -157.82 164.83 33.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.467 ' N ' HG23 ' A' ' 46' ' ' ILE . 61.3 m -115.97 130.4 56.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.32 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.521 HD12 ' HB3' ' A' ' 18' ' ' GLN . 80.5 mt -64.79 134.58 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.663 ' HD2' HD12 ' A' ' 47' ' ' ILE . 7.2 mmpt? -124.02 -30.8 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -149.27 153.04 36.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.7 mt -130.11 116.79 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -109.32 124.15 50.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.577 HG23 ' CH2' ' A' ' 58' ' ' TRP . 12.0 mt -89.02 -37.33 9.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.9 mt -55.03 -41.78 71.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -102.75 -4.4 25.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 57.45 47.0 17.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.497 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 12.4 p -132.84 179.07 6.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.507 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 15.4 m -151.87 129.43 11.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.5 t80 -76.61 96.51 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 33' ' ' THR . 35.0 mt -107.29 146.15 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.663 HD12 ' HD2' ' A' ' 35' ' ' LYS . 9.1 mt -105.39 110.26 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.618 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 84.7 m-85 -73.97 152.92 39.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -45.07 -21.8 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 48' ' ' PHE . 1.7 m-20 -81.52 15.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' PHE . 10.7 m 54.56 25.05 5.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 m -104.53 127.03 52.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.7 mtpt -96.21 127.87 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -148.59 131.79 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -71.9 102.24 2.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.683 HG21 ' HB1' ' A' ' 22' ' ' ALA . 3.4 t -91.17 137.68 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.83 143.78 56.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.577 ' CH2' HG23 ' A' ' 39' ' ' ILE . 45.0 m0 -49.58 -32.31 12.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.84 -26.58 44.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.415 ' HB2' HG12 ' A' ' 56' ' ' VAL . 51.2 m-20 -85.4 -18.03 34.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.677 HD11 ' O ' ' A' ' 56' ' ' VAL . 15.3 mt -88.15 106.75 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 6.8 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.0 pttt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.81 0.338 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.411 ' HB3' HD13 ' A' ' 34' ' ' ILE . 63.9 m-85 -58.95 167.47 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -119.33 141.39 49.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -71.94 130.53 41.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.94 32.55 56.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HB3' HD12 ' A' ' 34' ' ' ILE . 35.3 tt0 -107.75 123.31 48.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.736 0.303 . . . . 0.0 110.966 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.16 118.93 12.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.83 169.19 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.8 mt -98.55 112.11 24.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.816 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -101.58 140.05 36.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.458 ' NE ' ' O ' ' A' ' 27' ' ' GLY . 9.9 ttt180 -89.06 114.14 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -70.57 172.78 7.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.2 m -55.98 -32.63 64.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.58 -34.3 72.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.458 ' O ' ' NE ' ' A' ' 23' ' ' ARG . . . 118.05 -12.87 12.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.4 mt -88.56 155.47 19.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -96.13 135.17 38.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -125.95 162.11 25.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.764 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.7 tt -79.5 134.05 36.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.764 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -158.09 169.86 34.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.481 ' N ' HG23 ' A' ' 46' ' ' ILE . 72.1 m -120.13 131.84 55.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.754 0.312 . . . . 0.0 111.121 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.471 HD12 ' HB3' ' A' ' 18' ' ' GLN . 73.0 mt -64.63 128.44 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.08 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 7.9 mmmt -116.83 -35.98 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -145.26 155.28 43.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mt -131.75 115.46 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -105.9 126.68 52.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.4 mt -90.37 -36.45 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mt -60.23 -43.61 95.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -96.94 -4.76 39.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 56.22 41.56 29.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.4 p -128.81 179.63 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.537 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 17.7 m -151.83 128.45 10.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.9 t80 -76.68 97.5 4.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.481 HG23 ' N ' ' A' ' 33' ' ' THR . 19.7 mt -107.71 147.61 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mt -106.42 113.14 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.707 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 66.2 m-85 -77.29 153.09 34.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.55 -21.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' PHE . 14.7 t0 -81.73 16.98 1.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' PHE . 79.9 p 53.42 26.19 5.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.2 m -105.55 125.63 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 6.0 mtpt -95.78 126.73 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -146.68 136.63 23.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -75.17 102.05 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.816 HG21 ' HB1' ' A' ' 22' ' ' ALA . 5.9 t -89.53 139.83 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.4 HD13 ' HE2' ' A' ' 59' ' ' LYS . 89.2 mt -70.39 144.68 51.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.555 ' HA ' HD12 ' A' ' 61' ' ' ILE . 42.4 m0 -51.68 -27.43 11.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' HE2' HD13 ' A' ' 57' ' ' LEU . 49.5 pttt -84.96 -25.88 27.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -87.34 -12.46 46.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.627 HD11 ' O ' ' A' ' 56' ' ' VAL . 13.2 mt -92.02 109.98 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.948 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.79 0.329 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -69.18 172.2 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 16' ' ' GLU . 19.9 tt0 -126.85 146.25 50.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' HG2' ' A' ' 15' ' ' GLU . 27.1 mt-10 -75.98 131.67 39.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.839 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.71 27.46 60.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.532 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.474 ' HB3' HD12 ' A' ' 34' ' ' ILE . 26.2 tt0 -102.77 120.22 40.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.896 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 118.57 12.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.412 HG13 ' HG2' ' A' ' 18' ' ' GLN . 16.4 m -139.13 175.41 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.6 mt -104.24 113.62 27.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.833 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -102.14 139.97 37.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -88.18 113.57 23.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -70.09 172.48 7.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -58.41 -28.01 64.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -31.27 72.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.828 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.82 -13.01 17.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.524 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 mt -90.63 155.35 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.482 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 20.6 m-85 -94.07 140.04 30.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.426 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 58.7 m-85 -130.43 157.71 41.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.849 HD23 ' N ' ' A' ' 32' ' ' GLY . 4.5 tt -78.11 132.31 37.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.849 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -156.53 166.29 33.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.523 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.47 ' N ' HG23 ' A' ' 46' ' ' ILE . 89.5 m -115.37 131.08 57.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.743 0.306 . . . . 0.0 111.165 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 18' ' ' GLN . 76.7 mt -64.57 128.67 27.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.857 ' HD2' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -116.78 -37.64 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 17.3 mtmm -143.94 152.5 41.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.6 mt -129.3 115.95 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -108.11 122.85 47.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.6 mt -86.77 -37.56 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.36 -44.77 76.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -99.89 -1.0 38.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 53.94 44.29 29.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.7 p -128.37 178.96 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.544 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 10.8 m -152.43 127.73 9.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.6 t80 -76.67 95.64 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 33' ' ' THR . 22.9 mt -106.63 145.74 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.857 HD12 ' HD2' ' A' ' 35' ' ' LYS . 11.4 mt -104.63 110.07 29.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.681 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 71.0 m-85 -73.29 153.19 40.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -45.85 -21.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 48' ' ' PHE . 2.0 m-20 -81.71 16.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 48' ' ' PHE . 8.6 m 54.33 26.34 6.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.5 m -106.51 127.12 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.6 mtpt -96.03 128.75 43.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -149.33 133.51 17.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -72.73 101.82 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.833 HG21 ' HB1' ' A' ' 22' ' ' ALA . 9.0 t -89.2 140.28 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.9 mt -71.43 141.27 50.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.684 ' HA ' HD12 ' A' ' 61' ' ' ILE . 42.7 m0 -48.75 -31.78 7.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -80.59 -23.94 39.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -90.25 -13.08 36.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 58' ' ' TRP . 12.6 mt -90.23 107.04 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.482 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 12.1 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' HE2' ' CE1' ' A' ' 14' ' ' PHE . 14.4 pttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.811 0.339 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.439 ' CE1' ' HE2' ' A' ' 13' ' ' LYS . 65.0 m-85 -57.99 173.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -121.31 149.49 42.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -78.97 125.74 29.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.13 27.18 45.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.498 ' HB3' HD12 ' A' ' 34' ' ' ILE . 35.2 tt0 -105.01 123.8 48.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -70.71 131.62 44.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -151.58 172.76 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.6 mt -101.99 111.97 24.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.738 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.38 140.04 35.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.072 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.457 ' HG3' ' CE1' ' A' ' 29' ' ' PHE . 13.5 ttp180 -88.95 113.83 24.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -70.27 172.15 8.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -56.0 -32.23 63.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.03 -27.92 68.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.9 -13.75 26.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.7 mt -87.29 156.75 19.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.457 ' CE1' ' HG3' ' A' ' 23' ' ' ARG . 22.7 m-85 -98.03 137.08 37.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -127.24 162.79 25.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.832 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.7 tt -80.09 135.4 36.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.832 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -159.87 169.76 35.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.495 ' N ' HG23 ' A' ' 46' ' ' ILE . 51.7 m -120.82 129.96 53.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.743 0.306 . . . . 0.0 111.172 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.498 HD12 ' HB3' ' A' ' 18' ' ' GLN . 87.2 mt -63.7 125.88 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.666 ' HD2' HD12 ' A' ' 47' ' ' ILE . 7.5 mmpt? -113.55 -38.79 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 34.7 mtmt -142.81 163.38 32.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.407 HG13 ' C ' ' A' ' 36' ' ' LYS . 19.4 mt -139.44 113.06 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -103.15 110.16 22.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.416 HG23 ' HH2' ' A' ' 58' ' ' TRP . 13.4 mt -72.28 -39.92 64.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mt -58.88 -44.73 91.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -92.87 -3.74 54.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 53.49 41.48 32.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.1 p -131.62 177.59 7.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.561 ' HG ' ' HD1' ' A' ' 58' ' ' TRP . 15.2 m -147.38 130.15 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.44 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.6 t80 -76.66 95.71 4.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.495 HG23 ' N ' ' A' ' 33' ' ' THR . 25.6 mt -106.48 147.08 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.186 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.666 HD12 ' HD2' ' A' ' 35' ' ' LYS . 6.2 mt -107.52 108.27 24.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 88.5 m-85 -71.3 151.9 43.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -44.88 -22.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' PHE . 4.6 m-20 -81.04 15.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' PHE . 19.1 p 55.84 25.04 8.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.1 m -104.0 126.54 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.44 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.29 128.61 43.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -149.59 136.14 19.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -75.71 101.48 5.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.738 HG21 ' HB1' ' A' ' 22' ' ' ALA . 3.2 t -88.79 139.27 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.893 HD13 ' HE2' ' A' ' 59' ' ' LYS . 76.3 mt -67.44 143.01 56.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.561 ' HD1' ' HG ' ' A' ' 44' ' ' CYS . 37.1 m0 -50.46 -30.07 11.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.893 ' HE2' HD13 ' A' ' 57' ' ' LEU . 22.8 pttt -82.35 -22.91 35.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.492 ' HB2' HG12 ' A' ' 56' ' ' VAL . 3.1 m-20 -88.34 -18.6 28.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.517 HD11 ' O ' ' A' ' 56' ' ' VAL . 21.7 mt -86.05 108.84 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HE2' ' CE2' ' A' ' 14' ' ' PHE . 19.7 pttm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.81 0.338 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.418 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 66.7 m-85 -71.32 171.01 11.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -127.78 145.92 50.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -76.51 130.05 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.97 29.11 55.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.527 ' HB3' HD12 ' A' ' 34' ' ' ILE . 27.6 tt0 -106.07 119.37 39.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -69.21 120.73 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.3 m -138.82 178.77 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.5 mt -107.64 112.11 24.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.827 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.85 143.93 30.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -91.4 112.7 24.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -70.18 173.73 6.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 p -57.97 -31.18 66.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -62.26 -26.48 68.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.24 -10.03 33.52 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 mt -90.6 157.04 17.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.421 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 25.7 m-85 -98.01 135.54 39.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.422 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 56.4 m-85 -125.61 162.45 24.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.6 tt -81.26 133.21 35.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.721 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -156.95 170.38 34.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.442 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.459 ' C ' HG23 ' A' ' 46' ' ' ILE . 97.0 m -119.98 132.16 55.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.7 0.286 . . . . 0.0 111.137 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.527 HD12 ' HB3' ' A' ' 18' ' ' GLN . 77.3 mt -64.56 126.35 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.945 ' HD2' HD12 ' A' ' 47' ' ' ILE . 8.1 mmpt? -113.89 -36.94 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 35.9 mtmt -144.88 161.36 39.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.5 mt -136.13 108.8 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -99.9 120.07 39.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.524 HG23 ' CH2' ' A' ' 58' ' ' TRP . 13.4 mt -84.59 -37.4 12.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.91 -49.79 74.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -91.98 -4.31 54.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 57.02 45.15 21.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.6 p -132.73 177.83 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.485 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 19.7 m -148.12 130.25 15.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.4 t80 -77.61 95.21 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.459 HG23 ' C ' ' A' ' 33' ' ' THR . 20.1 mt -106.4 146.11 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.945 HD12 ' HD2' ' A' ' 35' ' ' LYS . 9.9 mt -106.54 110.11 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.688 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 81.8 m-85 -72.45 158.7 35.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -50.27 -23.55 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.2 p30 -78.95 11.14 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.1 p 59.37 27.12 16.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -106.74 127.95 53.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.483 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 6.1 mtpt -96.06 127.29 41.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -147.19 130.07 16.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -71.04 101.51 2.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.827 HG21 ' HB1' ' A' ' 22' ' ' ALA . 11.0 t -88.78 138.01 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.562 HD13 ' HE3' ' A' ' 59' ' ' LYS . 88.3 mt -67.13 142.61 57.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.625 ' HA ' HD12 ' A' ' 61' ' ' ILE . 38.1 m0 -49.95 -21.99 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HE3' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -90.01 -29.51 18.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -82.09 -13.35 57.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.625 HD12 ' HA ' ' A' ' 58' ' ' TRP . 11.2 mt -89.95 111.44 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.421 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 6.0 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.837 0.351 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -54.51 170.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -127.95 146.15 50.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -78.22 129.28 34.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.08 23.8 60.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HB3' HD12 ' A' ' 34' ' ' ILE . 29.3 tt0 -98.98 123.52 43.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -72.07 121.82 19.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.436 HG13 ' HG2' ' A' ' 18' ' ' GLN . 15.5 m -142.31 -178.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.2 mt -110.1 112.57 24.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.837 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.81 140.12 35.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -88.36 113.57 24.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -70.34 172.33 8.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.2 m -55.61 -35.27 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -29.99 64.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.51 -12.46 23.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 mt -89.34 157.27 18.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.817 0.341 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 22.4 m-85 -94.96 143.24 26.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -133.45 160.72 36.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.622 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.5 tt -79.43 130.38 35.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.622 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -155.85 165.16 32.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.534 ' N ' HG23 ' A' ' 46' ' ' ILE . 99.6 m -117.07 129.88 56.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.334 . . . . 0.0 111.12 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.521 HD12 ' HB3' ' A' ' 18' ' ' GLN . 97.5 mt -62.28 131.49 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.749 ' HD2' HD12 ' A' ' 47' ' ' ILE . 6.0 mmpt? -120.73 -32.6 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 23.2 mtmm -146.81 158.91 44.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.6 mt -134.33 114.42 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 40' ' ' LEU . 43.6 t-20 -105.95 125.58 51.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.4 mt -90.4 -33.66 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.408 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 7.0 mt -60.9 -42.41 97.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -101.9 0.95 36.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 51.35 45.08 28.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.6 p -130.25 176.54 8.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.523 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 26.3 m -148.08 128.99 14.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.479 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.7 t80 -76.64 96.43 4.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.534 HG23 ' N ' ' A' ' 33' ' ' THR . 18.0 mt -107.88 140.93 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.749 HD12 ' HD2' ' A' ' 35' ' ' LYS . 10.9 mt -101.03 110.05 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.682 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 61.8 m-85 -73.01 152.37 41.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.52 -21.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -80.85 15.37 1.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 48' ' ' PHE . 6.2 m 56.05 25.08 8.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.5 m -103.85 126.26 50.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.479 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.6 mtpt -96.62 127.73 42.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -149.47 137.34 20.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -76.71 102.1 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.837 HG21 ' HB1' ' A' ' 22' ' ' ALA . 15.5 t -88.23 140.55 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.0 mt -72.31 142.02 48.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.562 ' HA ' HD12 ' A' ' 61' ' ' ILE . 44.9 m0 -49.38 -30.02 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.939 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -83.03 -25.4 32.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -88.16 -12.74 43.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.655 HG13 HG12 ' A' ' 56' ' ' VAL . 13.9 mt -91.53 109.11 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.479 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 12.4 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 pttm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.842 0.353 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -56.91 173.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -125.68 148.9 48.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -77.32 130.91 37.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 73.55 31.88 60.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.53 ' HB3' HD12 ' A' ' 34' ' ' ILE . 34.3 tt0 -106.42 123.21 47.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.56 122.6 19.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.86 170.8 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.8 mt -98.82 112.5 24.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.874 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -101.62 140.58 35.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -89.2 113.62 24.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -70.16 173.24 6.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m -57.59 -28.76 63.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -63.3 -32.21 73.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.09 -13.44 16.69 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.6 mt -89.09 156.14 19.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 22.3 m-85 -94.71 139.43 31.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -130.69 159.15 38.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.8 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.8 tt -77.53 134.29 38.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.8 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -158.9 171.48 35.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.458 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.467 ' N ' HG23 ' A' ' 46' ' ' ILE . 97.1 m -122.28 129.52 52.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 111.122 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.53 HD12 ' HB3' ' A' ' 18' ' ' GLN . 90.7 mt -62.85 129.57 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.708 ' HD2' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -117.5 -35.21 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.821 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 28.9 mtmt -145.52 154.54 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.1 mt -131.19 111.01 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -102.38 117.96 35.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.5 mt -81.73 -37.28 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.162 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mt -57.86 -49.72 75.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -91.84 -2.68 56.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 54.57 44.06 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.486 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 16.0 p -130.68 179.06 6.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.509 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 9.6 m -151.36 128.23 10.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.7 t80 -76.66 95.98 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 33' ' ' THR . 21.0 mt -106.06 147.39 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.708 HD12 ' HD2' ' A' ' 35' ' ' LYS . 9.9 mt -107.56 111.94 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.615 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 74.9 m-85 -75.04 154.58 37.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -47.19 -20.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.13 16.1 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.7 m 55.21 25.49 7.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.3 m -104.24 126.39 51.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -96.59 126.86 42.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -147.16 138.67 24.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -78.93 101.86 7.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.874 HG21 ' HB1' ' A' ' 22' ' ' ALA . 4.9 t -89.05 140.54 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.13 143.63 52.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.611 ' HA ' HD12 ' A' ' 61' ' ' ILE . 40.7 m0 -50.55 -26.48 5.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -86.37 -23.48 26.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.93 -12.56 41.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 58' ' ' TRP . 10.7 mt -91.72 110.27 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.483 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 6.3 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.0 pttt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.8 0.333 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -63.9 172.35 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -128.17 147.14 50.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -77.14 131.48 38.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.46 26.84 62.54 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.58 ' HB3' HD12 ' A' ' 34' ' ' ILE . 33.7 tt0 -102.2 122.22 43.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -69.16 125.05 25.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.5 m -148.45 173.93 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.2 mt -103.56 117.79 35.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.823 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -105.26 145.7 30.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -92.23 112.71 24.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -70.22 172.43 8.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.7 m -57.3 -27.93 62.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -64.9 -30.56 71.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.08 -13.34 21.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.435 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.5 mt -89.1 156.28 18.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.532 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 27.0 m-85 -95.02 138.09 33.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.459 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 57.1 m-85 -128.04 158.29 38.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.967 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.835 HD23 ' N ' ' A' ' 32' ' ' GLY . 4.9 tt -77.68 132.1 38.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.835 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -158.03 172.91 35.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.463 ' N ' HG23 ' A' ' 46' ' ' ILE . 97.8 m -123.14 132.78 54.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.733 0.301 . . . . 0.0 111.161 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.58 HD12 ' HB3' ' A' ' 18' ' ' GLN . 79.5 mt -63.4 133.73 28.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.911 ' HD2' HD12 ' A' ' 47' ' ' ILE . 6.9 mmpt? -122.24 -33.85 3.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 19.8 mtmm -147.52 155.9 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.9 mt -132.6 107.79 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -99.19 119.17 37.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.433 HG23 ' CH2' ' A' ' 58' ' ' TRP . 14.8 mt -83.11 -37.31 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mt -56.81 -47.61 79.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -94.49 -3.79 49.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 56.17 44.47 25.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.464 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 14.0 p -131.01 179.82 5.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.511 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 13.2 m -151.06 129.63 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.493 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.4 t80 -78.15 97.3 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 33' ' ' THR . 20.1 mt -107.31 144.41 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.911 HD12 ' HD2' ' A' ' 35' ' ' LYS . 12.1 mt -104.8 110.01 29.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.727 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 66.3 m-85 -73.07 152.96 41.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -45.7 -21.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -81.81 16.49 1.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' PHE . 6.3 m 54.38 25.0 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 m -104.52 126.68 51.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.493 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.11 128.72 43.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -148.04 129.96 15.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.803 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -70.85 101.97 2.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.823 HG21 ' HB1' ' A' ' 22' ' ' ALA . 6.3 t -89.49 143.19 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -74.25 143.42 45.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.599 ' HA ' HD12 ' A' ' 61' ' ' ILE . 43.6 m0 -50.1 -31.47 13.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -83.79 -20.02 34.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -93.29 -9.55 38.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 58' ' ' TRP . 13.7 mt -94.16 109.27 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.532 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.9 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.463 ' HB3' HD13 ' A' ' 34' ' ' ILE . 64.9 m-85 -65.99 173.67 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -123.44 143.67 50.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.7 130.62 40.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.81 27.89 59.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.504 ' HB3' HD12 ' A' ' 34' ' ' ILE . 35.4 tt0 -104.93 121.62 44.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.325 . . . . 0.0 110.931 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.27 126.82 30.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.0 m -147.48 170.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 mt -99.99 112.72 25.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.864 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.87 143.57 30.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -91.05 113.67 26.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.16 172.1 8.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 m -56.42 -30.36 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -61.72 -33.83 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.91 -13.42 12.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.1 mt -89.0 157.79 18.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 110.949 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 25.2 m-85 -96.45 138.7 33.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -129.4 159.86 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.836 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.3 tt -77.57 135.0 38.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.836 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -160.36 171.04 36.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.468 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.437 ' N ' HG23 ' A' ' 46' ' ' ILE . 50.4 m -121.04 132.48 54.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 111.17 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.504 HD12 ' HB3' ' A' ' 18' ' ' GLN . 77.8 mt -63.91 121.39 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 9.9 mmmt -108.32 -40.0 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 18.3 mtmm -142.85 162.12 36.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.8 mt -139.08 109.94 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 41' ' ' LYS . 62.5 t-20 -100.45 110.85 23.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.603 HG23 ' HH2' ' A' ' 58' ' ' TRP . 13.6 mt -73.65 -39.8 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mt -59.13 -46.56 88.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 4.1 mmpt? -88.85 -7.92 55.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 58.63 38.91 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.538 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 14.6 p -129.53 -177.76 4.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.538 ' HG ' ' C ' ' A' ' 43' ' ' SER . 10.4 m -153.62 127.74 9.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.7 t80 -76.47 96.9 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 33' ' ' THR . 25.1 mt -105.93 145.44 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.442 ' O ' HG22 ' A' ' 47' ' ' ILE . 11.1 mt -105.85 111.2 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.598 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 72.5 m-85 -74.81 153.28 38.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -45.8 -21.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' PHE . 30.6 t70 -81.65 16.5 1.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' PHE . 9.5 m 54.57 25.02 5.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.5 m -103.64 126.39 50.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.7 mtpt -96.84 126.9 42.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -145.9 140.61 27.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -81.13 101.93 9.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.864 HG21 ' HB1' ' A' ' 22' ' ' ALA . 4.1 t -89.75 143.87 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.172 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.402 HD13 ' HE3' ' A' ' 59' ' ' LYS . 77.0 mt -73.79 142.7 46.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.603 ' HH2' HG23 ' A' ' 39' ' ' ILE . 42.2 m0 -49.92 -26.56 4.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.402 ' HE3' HD13 ' A' ' 57' ' ' LEU . 14.5 pttp -85.75 -25.01 26.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.916 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -87.28 -15.2 38.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 58' ' ' TRP . 13.5 mt -87.82 112.17 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.465 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 11.1 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.937 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.807 0.337 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -52.83 170.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -125.09 141.68 51.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -73.77 128.56 35.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.14 30.01 55.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -106.3 125.64 51.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.2 127.62 33.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.8 m -150.06 173.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.3 mt -102.79 112.62 25.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.751 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -99.68 142.34 31.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -90.36 113.97 25.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -70.81 171.74 10.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t -54.86 -36.6 65.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.75 -30.48 63.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.91 -11.78 22.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.443 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.7 mt -89.51 156.3 18.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.463 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 23.8 m-85 -94.08 143.96 25.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -133.76 160.54 37.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.1 tt -80.78 131.61 35.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.558 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -157.14 169.64 34.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.471 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.527 HG22 ' HE3' ' A' ' 35' ' ' LYS . 89.0 m -119.99 127.66 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 111.181 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.5 mt -65.52 134.26 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.527 ' HE3' HG22 ' A' ' 33' ' ' THR . 9.4 mmpt? -124.48 -31.75 3.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.441 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 28.9 mtmt -145.73 157.82 43.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.6 mt -135.33 113.71 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -103.89 111.28 23.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.752 HG23 ' HH2' ' A' ' 58' ' ' TRP . 12.9 mt -74.67 -40.35 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mt -58.91 -45.87 89.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -90.99 -2.16 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 52.17 42.43 30.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.8 p -133.75 178.57 6.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.504 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 27.3 m -149.58 131.84 15.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.477 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.58 96.75 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 33' ' ' THR . 19.2 mt -110.31 141.68 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.445 HD12 ' HD2' ' A' ' 35' ' ' LYS . 10.8 mt -101.46 110.19 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.641 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 82.8 m-85 -73.59 152.77 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.32 -22.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 48' ' ' PHE . 22.1 t70 -81.36 17.33 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' PHE . 87.0 p 52.89 25.92 4.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.1 m -104.64 126.65 51.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.477 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.2 mtpt -95.92 127.44 41.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -149.69 135.03 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -71.98 102.05 2.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.751 HG21 ' HB1' ' A' ' 22' ' ' ALA . 18.5 t -86.68 137.19 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 60' ' ' ASP . 88.2 mt -68.88 138.2 54.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.752 ' HH2' HG23 ' A' ' 39' ' ' ILE . 41.8 m0 -46.93 -30.0 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.99 -28.12 35.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 57' ' ' LEU . 88.8 m-20 -85.93 -14.13 45.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.709 HD11 ' O ' ' A' ' 56' ' ' VAL . 10.9 mt -89.64 110.28 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.463 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 4.6 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.769 0.319 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -67.84 168.5 11.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -116.21 140.92 48.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -75.25 122.32 23.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.03 21.03 47.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.498 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' HB3' HD12 ' A' ' 34' ' ' ILE . 33.2 tt0 -100.77 123.96 45.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 110.942 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.441 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.6 p30 -70.02 136.78 50.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 19' ' ' ASP . 17.4 m -156.93 172.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.0 mt -100.13 112.62 24.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.832 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -99.81 139.43 35.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -88.97 114.0 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -70.19 173.02 7.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -55.88 -33.78 64.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.11 -27.5 67.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.72 -11.94 30.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt -88.14 155.34 19.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.87 0.367 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 21.3 m-85 -94.49 141.68 28.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -131.98 162.13 31.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.483 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.0 tt -80.09 128.36 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.483 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -153.43 167.78 31.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.533 ' N ' HG23 ' A' ' 46' ' ' ILE . 67.6 m -120.56 129.81 53.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 111.099 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 18' ' ' GLN . 92.9 mt -63.38 123.88 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 10.7 mmmm -111.86 -38.29 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 15.4 mtpp -139.54 166.97 23.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.4 mt -140.41 123.44 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -117.5 120.68 38.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 mt -86.45 -35.47 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 mt -59.89 -43.47 94.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -101.09 3.8 41.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 47.67 47.14 18.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.0 p -131.29 176.7 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.561 ' HG ' ' HD1' ' A' ' 58' ' ' TRP . 18.6 m -149.9 129.35 13.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.522 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.79 93.9 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.533 HG23 ' N ' ' A' ' 33' ' ' THR . 22.7 mt -105.58 141.69 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.476 ' O ' HG22 ' A' ' 47' ' ' ILE . 10.1 mt -101.57 109.42 25.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.684 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 66.6 m-85 -72.87 151.63 41.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.88 -21.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 48' ' ' PHE . 15.4 t70 -80.18 14.39 1.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' PHE . 8.0 m 56.21 25.01 8.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.9 m -105.32 126.53 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.522 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.8 mtpt -95.77 129.33 43.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -150.76 136.09 17.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -74.41 101.57 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.832 HG21 ' HB1' ' A' ' 22' ' ' ALA . 15.3 t -87.87 138.5 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.722 HD13 ' HE2' ' A' ' 59' ' ' LYS . 67.2 mt -68.41 141.76 55.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.65 ' HA ' HD12 ' A' ' 61' ' ' ILE . 40.5 m0 -50.39 -21.87 1.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.722 ' HE2' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.97 -28.97 19.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.05 -7.31 58.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.695 HD11 ' O ' ' A' ' 56' ' ' VAL . 12.0 mt -96.0 106.44 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.489 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 13.2 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.0 pttt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.88 0.372 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.437 ' HB3' HD13 ' A' ' 34' ' ' ILE . 67.4 m-85 -62.22 172.16 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -122.31 145.06 48.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -74.72 129.88 38.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.41 29.1 60.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HB3' HD12 ' A' ' 34' ' ' ILE . 35.6 tt0 -103.53 120.73 41.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.54 120.34 15.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.5 m -140.75 178.28 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.0 mt -105.74 112.47 25.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.811 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.67 142.43 32.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HG3' ' CE1' ' A' ' 29' ' ' PHE . 5.6 ttt180 -90.32 112.18 23.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.19 173.55 6.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -57.57 -31.48 66.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.7 -26.13 68.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.6 -13.15 32.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -86.99 156.19 19.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.449 ' CE1' ' HG3' ' A' ' 23' ' ' ARG . 24.4 m-85 -98.3 134.09 41.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.437 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 54.0 m-85 -123.39 162.63 22.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.833 HD23 ' N ' ' A' ' 32' ' ' GLY . 4.6 tt -81.98 131.07 35.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.833 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -155.16 172.08 33.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.465 ' N ' HG23 ' A' ' 46' ' ' ILE . 65.5 m -121.78 130.86 53.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.739 0.304 . . . . 0.0 111.128 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 18' ' ' GLN . 85.8 mt -65.15 133.89 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.561 ' HD2' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -123.19 -35.68 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 24.2 mtmm -144.01 153.95 42.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.6 mt -131.2 113.61 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -103.13 124.43 48.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.4 mt -86.94 -37.26 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 40' ' ' LEU . 3.8 mt -57.52 -49.68 75.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -93.59 -0.11 56.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 51.86 45.33 28.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.4 p -129.68 178.67 6.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.484 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 9.7 m -149.94 129.34 12.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.477 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.98 97.77 4.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 33' ' ' THR . 24.5 mt -109.27 145.98 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.561 HD12 ' HD2' ' A' ' 35' ' ' LYS . 10.2 mt -105.75 113.71 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.737 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 76.6 m-85 -77.78 153.17 33.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -45.71 -21.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 48' ' ' PHE . 10.8 t70 -81.82 16.79 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.5 p 53.44 27.78 6.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.5 m -107.53 125.95 51.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.477 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -95.92 125.95 40.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -145.37 135.21 23.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -75.26 101.91 4.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.811 HG21 ' HB1' ' A' ' 22' ' ' ALA . 6.4 t -87.46 148.33 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 88.8 mt -77.63 140.82 39.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.635 ' HA ' HD12 ' A' ' 61' ' ' ILE . 41.1 m0 -47.67 -28.57 2.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -85.72 -26.67 25.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.06 -12.79 52.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 58' ' ' TRP . 11.3 mt -91.06 110.22 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.93 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.0 pttt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.766 0.317 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -54.19 175.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.448 ' OE1' ' C ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -128.61 152.1 48.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -84.51 122.14 28.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.77 21.11 48.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -100.97 123.48 45.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.772 0.32 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -69.18 129.79 40.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.8 m -149.32 175.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.7 mt -105.38 113.98 27.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.94 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -101.91 145.13 29.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -93.1 113.89 26.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -70.91 172.78 8.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -56.58 -32.77 65.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -60.91 -27.62 68.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.15 -9.53 31.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.5 mt -90.88 156.83 17.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.9 m-85 -96.31 138.46 33.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.45 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 54.5 m-85 -128.86 162.96 26.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.813 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.4 tt -81.2 135.48 35.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.813 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -161.1 168.26 36.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.499 ' C ' HG23 ' A' ' 46' ' ' ILE . 88.9 m -119.65 130.31 55.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.327 . . . . 0.0 111.199 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.59 133.94 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.449 ' HE3' HG22 ' A' ' 33' ' ' THR . 9.4 mmpt? -122.36 -33.06 3.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 15.1 mtmm -144.17 163.37 33.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.2 mt -137.94 112.65 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.407 ' ND2' ' HB2' ' A' ' 41' ' ' LYS . 49.1 t-20 -103.0 121.89 43.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.637 HG23 ' HH2' ' A' ' 58' ' ' TRP . 16.8 mt -87.69 -33.89 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.4 -45.82 91.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.407 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 72.7 mttt -93.17 -7.8 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 59.73 43.37 15.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.5 p -133.61 176.31 8.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.468 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 32.6 m -144.16 131.31 20.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CZ ' ' HD3' ' A' ' 53' ' ' LYS . 1.4 t80 -76.68 96.54 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.499 HG23 ' C ' ' A' ' 33' ' ' THR . 20.0 mt -111.07 142.46 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.56 HG22 ' O ' ' A' ' 47' ' ' ILE . 3.3 mt -104.04 109.82 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.673 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 68.4 m-85 -71.58 153.09 42.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -45.78 -21.47 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 48' ' ' PHE . 40.3 m-20 -81.71 16.06 1.93 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' PHE . 13.7 m 53.33 29.73 9.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -112.44 120.84 43.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.567 ' HD3' ' CZ ' ' A' ' 45' ' ' PHE . 15.0 mttt -86.86 134.63 33.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -153.16 123.95 7.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -67.67 101.85 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.94 HG21 ' HB1' ' A' ' 22' ' ' ALA . 18.1 t -89.26 137.53 21.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.88 141.07 56.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.643 ' HA ' HD12 ' A' ' 61' ' ' ILE . 45.9 m0 -48.74 -31.96 7.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.51 -25.05 38.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -88.59 -13.35 40.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.713 HD11 ' O ' ' A' ' 56' ' ' VAL . 13.8 mt -90.17 111.82 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.48 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.4 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.762 0.315 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -51.4 167.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -124.81 140.55 52.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -73.16 133.78 44.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.25 26.18 74.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.48 ' HB3' HD12 ' A' ' 34' ' ' ILE . 34.1 tt0 -101.37 126.64 48.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.918 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.83 132.41 46.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.3 m -154.4 171.79 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.5 mt -102.15 113.82 27.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.759 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -101.92 144.19 30.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ttm-85 -91.08 111.87 23.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.15 172.26 8.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t -55.77 -29.92 60.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -65.0 -26.21 68.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.64 -14.03 32.48 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.5 mt -85.47 157.04 20.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.406 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.9 m-85 -98.77 133.17 43.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.406 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 53.4 m-85 -122.87 161.32 24.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.773 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.9 tt -80.7 133.53 35.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.773 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -158.45 174.45 35.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.49 ' N ' HG23 ' A' ' 46' ' ' ILE . 94.6 m -124.61 131.14 53.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.753 0.311 . . . . 0.0 111.136 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 18' ' ' GLN . 82.0 mt -63.24 132.24 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.735 ' HD2' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -119.95 -36.18 3.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.41 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 28.0 mtmt -145.39 155.2 43.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.5 mt -132.12 108.73 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -97.11 112.27 24.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.412 HG23 ' HH2' ' A' ' 58' ' ' TRP . 13.4 mt -75.57 -38.02 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.92 -45.24 94.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -90.03 -9.28 49.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 59.47 39.01 22.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.449 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 14.2 p -128.83 -178.37 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.498 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 25.3 m -151.36 127.99 10.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.5 t80 -76.97 95.71 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 33' ' ' THR . 20.2 mt -105.66 147.18 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.735 HD12 ' HD2' ' A' ' 35' ' ' LYS . 11.0 mt -107.06 109.88 29.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.696 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 71.6 m-85 -73.83 152.94 40.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.472 ' HG2' HD22 ' A' ' 31' ' ' LEU . 37.2 mm-40 -45.56 -21.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' PHE . 1.1 m-20 -81.73 16.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' PHE . 8.9 m 53.69 27.87 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.4 m -107.33 126.34 52.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.815 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.6 mtpt -96.25 126.74 41.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -145.85 135.99 23.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -75.13 101.82 4.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.759 HG21 ' HB1' ' A' ' 22' ' ' ALA . 11.0 t -89.74 138.89 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.68 140.8 53.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.582 ' HA ' HD12 ' A' ' 61' ' ' ILE . 41.4 m0 -47.59 -32.11 5.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -25.07 33.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -87.31 -9.88 53.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.617 HD11 ' O ' ' A' ' 56' ' ' VAL . 14.7 mt -94.46 111.19 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.406 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 8.2 tt0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 pttm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.427 ' HB3' HD13 ' A' ' 34' ' ' ILE . 66.4 m-85 -61.63 171.67 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -121.21 146.35 46.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -74.08 132.85 42.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.08 31.41 66.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.556 ' HB3' HD12 ' A' ' 34' ' ' ILE . 34.3 tt0 -105.03 122.87 46.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -69.5 120.45 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.2 m -141.25 173.67 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 mt -103.11 114.49 28.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.805 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -104.85 140.06 38.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -88.73 114.67 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -70.38 171.43 10.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 m -55.31 -29.82 59.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.17 -34.12 75.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.49 -14.37 11.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.6 mt -88.41 156.34 19.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -95.03 138.89 32.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -129.45 158.92 37.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.783 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.7 tt -78.06 134.76 37.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.783 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -159.65 168.9 35.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.458 ' N ' HG23 ' A' ' 46' ' ' ILE . 86.5 m -118.59 131.99 56.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 111.146 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.556 HD12 ' HB3' ' A' ' 18' ' ' GLN . 86.1 mt -65.54 129.22 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.618 ' HD2' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -117.62 -32.89 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.489 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 16.4 mtpp -145.16 156.28 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.6 mt -133.62 106.94 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -100.06 120.59 40.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.596 HG23 ' HH2' ' A' ' 58' ' ' TRP . 17.0 mt -86.69 -34.32 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 mt -61.2 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -96.91 -4.47 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 56.73 43.57 25.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.484 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 16.0 p -131.53 -179.99 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.536 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 18.2 m -152.19 127.91 10.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' CB ' ' HB2' ' A' ' 36' ' ' LYS . 1.6 t80 -76.61 96.0 4.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 33' ' ' THR . 20.9 mt -107.25 146.46 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.618 HD12 ' HD2' ' A' ' 35' ' ' LYS . 9.7 mt -106.85 111.66 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 70.6 m-85 -74.45 153.08 39.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -46.16 -21.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 48' ' ' PHE . 12.6 m-20 -81.06 15.14 1.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.6 m 56.03 26.42 9.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.2 m -105.3 126.46 52.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.475 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -96.7 126.82 42.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -148.36 138.23 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -77.55 102.0 6.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.805 HG21 ' HB1' ' A' ' 22' ' ' ALA . 7.4 t -88.85 136.39 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.95 143.29 55.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.637 ' HA ' HD12 ' A' ' 61' ' ' ILE . 44.8 m0 -50.95 -30.42 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -81.7 -23.97 36.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.925 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -91.27 -8.8 47.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.741 HD11 ' O ' ' A' ' 56' ' ' VAL . 14.5 mt -94.36 111.8 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.807 0.337 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -66.45 171.77 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -132.09 149.82 52.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.79 130.44 35.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.77 29.56 57.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.405 ' HB3' HD12 ' A' ' 34' ' ' ILE . 33.6 tt0 -109.16 124.66 51.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -69.05 136.0 51.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.3 m -156.03 176.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.7 mt -105.53 113.72 27.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.775 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.35 142.85 31.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -91.1 112.32 24.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -70.17 172.26 8.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -52.71 -41.75 64.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -54.48 -24.15 19.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.09 -8.08 41.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.5 mt -88.88 158.15 18.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -98.67 141.59 31.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -132.85 161.55 33.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.666 HD23 ' N ' ' A' ' 32' ' ' GLY . 6.2 tt -78.63 133.7 37.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.666 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -157.77 173.77 35.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.591 HG22 ' HE3' ' A' ' 35' ' ' LYS . 90.7 m -124.32 129.78 51.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.134 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.405 HD12 ' HB3' ' A' ' 18' ' ' GLN . 91.4 mt -66.21 127.69 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.598 ' HD2' HD12 ' A' ' 47' ' ' ILE . 8.9 mmpt? -117.42 -32.45 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 13.6 mtpp -144.97 156.65 44.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mt -134.58 107.52 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -99.36 117.82 34.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.662 HG23 ' HH2' ' A' ' 58' ' ' TRP . 16.9 mt -83.02 -35.3 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.79 -47.35 86.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -93.85 -2.24 53.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 54.93 43.3 30.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.5 p -131.41 178.4 6.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.543 ' HG ' ' HD1' ' A' ' 58' ' ' TRP . 12.6 m -150.48 130.35 13.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.486 ' CB ' ' HB2' ' A' ' 36' ' ' LYS . 1.8 t80 -76.91 98.97 5.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 33' ' ' THR . 28.4 mt -110.22 149.04 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.598 HD12 ' HD2' ' A' ' 35' ' ' LYS . 7.9 mt -110.62 111.2 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.638 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 83.2 m-85 -74.45 151.96 39.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -45.11 -21.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 48' ' ' PHE . 22.2 t70 -80.69 14.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 48' ' ' PHE . 6.9 m 55.95 25.18 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -104.48 126.17 51.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.43 127.16 42.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -148.19 131.99 17.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -72.88 102.36 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.775 HG21 ' HB1' ' A' ' 22' ' ' ALA . 2.9 t -89.94 141.18 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.446 HD13 ' HE2' ' A' ' 59' ' ' LYS . 97.7 mt -71.1 144.83 50.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.662 ' HH2' HG23 ' A' ' 39' ' ' ILE . 44.4 m0 -50.62 -29.17 10.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.446 ' HE2' HD13 ' A' ' 57' ' ' LEU . 15.3 pttt -81.56 -22.84 37.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.622 ' HB2' HG12 ' A' ' 56' ' ' VAL . 96.1 m-20 -90.07 -18.53 25.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.531 HD11 ' O ' ' A' ' 56' ' ' VAL . 16.2 mt -87.3 110.7 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.09 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.942 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.819 0.343 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -55.12 174.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -127.43 138.01 52.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.64 130.25 42.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.28 32.11 56.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.522 ' HB3' HD12 ' A' ' 34' ' ' ILE . 34.3 tt0 -108.92 124.49 50.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.69 134.05 48.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.0 m -155.89 173.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 mt -103.27 115.55 30.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.753 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -103.12 143.14 32.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -90.0 112.24 23.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -70.08 172.62 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -55.02 -33.34 62.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.31 -27.27 68.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.43 -13.14 30.63 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.538 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.0 mt -86.4 157.84 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 110.948 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.1 m-85 -97.94 138.17 35.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.416 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 58.0 m-85 -128.93 159.98 34.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.649 HD23 ' N ' ' A' ' 32' ' ' GLY . 6.7 tt -77.87 133.02 38.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.947 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.649 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -157.44 172.77 34.86 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.497 ' N ' HG23 ' A' ' 46' ' ' ILE . 89.4 m -124.16 131.65 53.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 111.117 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' A' ' 18' ' ' GLN . 74.2 mt -62.42 126.22 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 8.0 mmmt -114.96 -33.03 5.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 14.8 mtpp -146.66 165.16 30.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 57.6 mt -140.82 107.25 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -97.94 111.29 23.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.445 ' HA ' ' CZ2' ' A' ' 58' ' ' TRP . 8.1 mt -73.5 -41.01 56.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 mt -60.87 -47.75 84.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.976 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -85.12 -7.74 58.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 56.72 33.41 22.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.486 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 8.3 p -124.57 -177.33 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.519 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 18.7 m -151.73 128.88 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.4 t80 -76.65 95.77 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 33' ' ' THR . 19.6 mt -105.51 146.12 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.18 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.441 ' O ' HG22 ' A' ' 47' ' ' ILE . 9.1 mt -106.41 112.03 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.692 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 72.9 m-85 -75.92 152.34 37.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.474 ' HG2' HD22 ' A' ' 31' ' ' LEU . 54.6 mm-40 -45.15 -21.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' PHE . 7.8 m-20 -80.74 14.85 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 48' ' ' PHE . 13.4 p 55.77 24.99 7.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.8 m -105.09 126.17 51.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 6.1 mtpt -95.66 128.32 42.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -146.61 136.8 23.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -76.14 102.07 5.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.753 HG21 ' HB1' ' A' ' 22' ' ' ALA . 11.2 t -87.95 147.94 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.497 HD13 ' HE2' ' A' ' 59' ' ' LYS . 81.9 mt -78.28 140.54 38.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.623 ' HA ' HD12 ' A' ' 61' ' ' ILE . 40.3 m0 -48.96 -29.59 4.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.497 ' HE2' HD13 ' A' ' 57' ' ' LEU . 58.9 pttt -86.33 -23.07 26.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.865 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.18 -12.18 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 58' ' ' TRP . 12.9 mt -90.43 108.75 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.456 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.8 tt0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.848 0.356 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -71.52 170.6 13.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -123.25 146.76 47.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -77.83 128.14 33.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.15 29.07 57.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -107.43 124.41 49.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.318 . . . . 0.0 110.918 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.15 132.64 46.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.4 m -152.56 174.76 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.0 mt -103.47 114.46 28.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.727 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -102.4 142.81 33.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.5 ttm-85 -91.05 112.18 23.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -70.19 172.07 8.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -55.33 -32.86 62.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.42 -27.8 68.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.15 -8.64 31.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.1 mt -91.06 156.36 17.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.837 0.351 . . . . 0.0 110.928 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.3 m-85 -96.05 138.59 33.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -129.14 161.63 29.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.751 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.7 tt -80.4 131.24 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.751 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -156.16 168.87 33.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.51 HG22 ' HE3' ' A' ' 35' ' ' LYS . 97.9 m -119.56 130.94 55.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 111.154 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.93 130.99 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.672 ' HD2' HD12 ' A' ' 47' ' ' ILE . 9.1 mmpt? -119.95 -34.89 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.496 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 20.3 mtpt -141.64 156.62 45.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.2 mt -134.45 106.32 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -96.82 124.07 40.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.8 mt -88.7 -33.07 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.47 -45.12 92.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -95.07 -3.94 47.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 55.82 39.59 30.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.44 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 19.3 p -125.93 179.75 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.514 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 13.3 m -150.59 128.6 11.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 53' ' ' LYS . 1.9 t80 -76.69 96.82 4.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 33' ' ' THR . 25.1 mt -109.03 147.82 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.672 HD12 ' HD2' ' A' ' 35' ' ' LYS . 8.5 mt -108.62 111.26 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.676 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 77.8 m-85 -74.51 152.53 39.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HG2' HD22 ' A' ' 31' ' ' LEU . 8.0 mm-40 -45.58 -21.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' PHE . 3.7 m-20 -81.29 15.92 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' PHE . 10.8 p 54.47 28.62 9.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -107.76 126.12 52.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.41 125.91 41.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -147.23 137.36 23.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -76.12 101.59 5.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.731 ' O ' HD11 ' A' ' 61' ' ' ILE . 5.3 t -88.83 135.22 26.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.86 142.04 57.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.599 ' HA ' HD12 ' A' ' 61' ' ' ILE . 44.7 m0 -48.86 -29.83 5.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -81.54 -25.86 35.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.69 -13.19 43.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.731 HD11 ' O ' ' A' ' 56' ' ' VAL . 12.5 mt -91.69 111.53 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.504 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.3 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 pttm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.78 0.324 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -58.82 167.55 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -118.32 146.96 43.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -78.55 125.28 29.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.41 27.13 49.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.53 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.46 ' HB3' HD12 ' A' ' 34' ' ' ILE . 33.0 tt0 -104.51 125.12 50.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.42 134.34 48.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.6 m -155.27 174.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.3 mt -104.18 112.76 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.926 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.3 140.93 33.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -89.66 114.26 25.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -70.08 173.09 6.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 p -55.02 -35.53 64.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.33 -28.83 65.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.67 -10.42 27.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.15 156.8 18.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.81 0.338 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.482 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 24.3 m-85 -95.96 140.55 30.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.843 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.45 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 58.5 m-85 -131.09 161.92 31.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.933 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.2 tt -79.2 129.36 34.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.577 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -155.2 171.07 33.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.468 ' N ' HG23 ' A' ' 46' ' ' ILE . 59.8 m -122.29 132.38 54.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.103 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.46 HD12 ' HB3' ' A' ' 18' ' ' GLN . 92.3 mt -65.22 122.18 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 10.8 mmmm -109.97 -35.07 6.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 31.7 mtpt -142.59 165.93 26.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.2 mt -140.97 115.01 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -109.11 126.44 53.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.8 mt -91.6 -35.02 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.2 mt -59.1 -41.47 88.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -103.32 1.32 32.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 51.33 43.18 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.49 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 14.1 p -127.16 178.77 5.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.551 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 15.2 m -151.77 128.96 11.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.528 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.7 t80 -76.54 95.09 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.468 HG23 ' N ' ' A' ' 33' ' ' THR . 24.0 mt -105.88 146.27 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.467 ' O ' HG22 ' A' ' 47' ' ' ILE . 8.9 mt -106.92 110.66 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.654 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 71.6 m-85 -73.48 154.82 39.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -47.63 -22.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.464 ' OD1' ' CB ' ' A' ' 52' ' ' SER . 28.6 p30 -79.86 12.76 2.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 p 58.17 25.74 12.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.464 ' CB ' ' OD1' ' A' ' 50' ' ' ASP . 5.4 m -105.25 126.42 52.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.528 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -95.76 127.91 42.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -148.99 133.61 17.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -72.72 103.21 3.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.926 HG21 ' HB1' ' A' ' 22' ' ' ALA . 16.5 t -89.3 145.16 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.582 HD13 ' HE2' ' A' ' 59' ' ' LYS . 75.3 mt -75.23 141.62 43.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.551 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 44.0 m0 -50.01 -32.68 15.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.582 ' HE2' HD13 ' A' ' 57' ' ' LEU . 38.8 pttt -81.63 -20.32 39.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.26 -15.02 26.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.585 HG13 HG12 ' A' ' 56' ' ' VAL . 16.3 mt -88.79 107.81 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.482 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 8.4 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -71.16 -56.64 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.362 . . . . 0.0 110.833 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m -71.14 104.88 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.01 -177.59 32.75 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.46 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -101.81 131.34 48.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.3 p -114.33 118.64 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.96 170.27 29.8 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.515 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -174.47 143.28 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.361 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -97.66 147.8 33.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 0.0 110.915 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 166.68 26.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.26 . . . . 0.0 112.351 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.65 156.9 16.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.868 ' HB2' HG21 ' A' ' 37' ' ' ILE . 25.0 p -77.36 74.63 3.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -42.38 -34.33 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -53.1 174.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' OE1' ' C ' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -132.42 147.49 52.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -82.52 121.18 26.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.34 16.88 48.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.535 ' HB3' HD12 ' A' ' 34' ' ' ILE . 33.6 tt0 -96.52 123.59 40.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.26 121.7 19.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.0 m -141.26 173.95 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.0 mt -103.25 113.66 27.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.769 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -101.92 144.16 30.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -90.96 113.61 25.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -70.21 172.1 8.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -56.48 -30.52 63.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -61.65 -34.48 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.36 -13.0 12.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.53 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.0 mt -89.35 156.32 18.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.847 0.356 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 25.0 m-85 -95.01 138.21 33.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -128.98 160.47 32.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.823 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.5 tt -79.01 135.64 36.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.823 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -160.21 165.89 35.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.485 ' N ' HG23 ' A' ' 46' ' ' ILE . 91.1 m -116.02 130.83 56.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.689 0.281 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 18' ' ' GLN . 80.0 mt -63.77 128.05 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.134 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.929 ' HD2' HD12 ' A' ' 47' ' ' ILE . 8.6 mmpt? -116.16 -37.45 3.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 20.7 mtmt -143.08 160.15 40.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.868 HG21 ' HB2' ' A' ' 12' ' ' CYS . 40.2 mt -137.46 108.44 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -99.57 117.18 33.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.463 HG23 ' CH2' ' A' ' 58' ' ' TRP . 15.1 mt -81.67 -35.18 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.21 -43.72 95.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -97.71 -4.55 37.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 56.84 43.43 24.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.463 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 14.1 p -129.5 179.16 5.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.548 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 25.5 m -151.52 128.03 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.81 97.18 4.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.485 HG23 ' N ' ' A' ' 33' ' ' THR . 21.5 mt -107.82 145.18 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.929 HD12 ' HD2' ' A' ' 35' ' ' LYS . 9.9 mt -105.93 111.66 35.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 75.0 m-85 -74.92 152.85 38.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -45.68 -21.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' PHE . 55.9 m-20 -81.11 14.99 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' PHE . 14.0 m 55.74 25.71 8.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.4 m -105.3 126.56 52.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.472 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.8 mtpt -96.09 127.44 42.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -146.92 132.89 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -73.81 102.01 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.769 HG21 ' HB1' ' A' ' 22' ' ' ALA . 11.2 t -88.69 144.85 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.5 141.33 41.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 44.2 m0 -48.77 -30.35 5.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 pttm -82.88 -24.38 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -89.83 -12.7 38.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.575 HG13 HG12 ' A' ' 56' ' ' VAL . 14.6 mt -91.43 109.75 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.453 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.7 tt0 -86.01 124.17 32.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.0 p -88.85 110.71 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.71 -75.12 1.29 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -38.9 112.92 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.0 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 t -87.55 150.03 23.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.374 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -109.21 168.86 9.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.61 -171.75 29.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.524 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -155.08 154.63 32.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.842 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 p -135.3 162.6 32.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.98 -85.61 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.15 131.6 50.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.848 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -39.48 143.17 0.55 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 126.89 13.82 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -111.81 162.17 15.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' HB2' HG21 ' A' ' 37' ' ' ILE . 26.0 p -71.04 170.2 13.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 14' ' ' PHE . 21.7 pttp -134.21 -40.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.428 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 67.4 m-85 -48.58 172.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -125.86 142.95 51.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -73.08 129.87 39.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.32 27.53 55.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HB3' HD12 ' A' ' 34' ' ' ILE . 34.3 tt0 -102.47 121.55 42.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.02 116.67 12.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -136.88 179.7 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.9 mt -109.46 112.46 24.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.683 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.56 144.13 29.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -91.17 112.87 24.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.32 171.91 9.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t -55.36 -30.91 61.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.12 -27.28 69.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.44 -13.91 30.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.8 mt -86.68 155.71 20.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.5 m-85 -95.76 138.48 33.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -129.53 159.21 37.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.761 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.3 tt -77.86 133.49 38.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.761 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -157.82 164.83 33.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.467 ' N ' HG23 ' A' ' 46' ' ' ILE . 61.3 m -115.97 130.4 56.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.32 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.521 HD12 ' HB3' ' A' ' 18' ' ' GLN . 80.5 mt -64.79 134.58 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.663 ' HD2' HD12 ' A' ' 47' ' ' ILE . 7.2 mmpt? -124.02 -30.8 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -149.27 153.04 36.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.444 HG21 ' HB2' ' A' ' 12' ' ' CYS . 32.7 mt -130.11 116.79 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -109.32 124.15 50.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.577 HG23 ' CH2' ' A' ' 58' ' ' TRP . 12.0 mt -89.02 -37.33 9.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.9 mt -55.03 -41.78 71.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -102.75 -4.4 25.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 57.45 47.0 17.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.497 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 12.4 p -132.84 179.07 6.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.507 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 15.4 m -151.87 129.43 11.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.5 t80 -76.61 96.51 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 33' ' ' THR . 35.0 mt -107.29 146.15 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.663 HD12 ' HD2' ' A' ' 35' ' ' LYS . 9.1 mt -105.39 110.26 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.618 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 84.7 m-85 -73.97 152.92 39.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -45.07 -21.8 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 48' ' ' PHE . 1.7 m-20 -81.52 15.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' PHE . 10.7 m 54.56 25.05 5.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 m -104.53 127.03 52.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.7 mtpt -96.21 127.87 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -148.59 131.79 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -71.9 102.24 2.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.683 HG21 ' HB1' ' A' ' 22' ' ' ALA . 3.4 t -91.17 137.68 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.83 143.78 56.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.577 ' CH2' HG23 ' A' ' 39' ' ' ILE . 45.0 m0 -49.58 -32.31 12.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.84 -26.58 44.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' HB2' HG12 ' A' ' 56' ' ' VAL . 51.2 m-20 -85.4 -18.03 34.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.677 HD11 ' O ' ' A' ' 56' ' ' VAL . 15.3 mt -88.15 106.75 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 6.8 tt0 -87.25 126.74 35.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.9 p -86.03 95.31 9.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 168.69 -163.94 37.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.4 170.32 22.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 48.6 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -147.76 144.85 28.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -115.56 160.67 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.63 -166.13 43.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 62.43 31.15 17.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.362 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t 58.91 51.85 6.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.56 -107.73 1.36 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.448 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -143.62 145.87 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -150.14 158.4 36.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.595 0.712 . . . . 0.0 110.86 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.519 ' HB2' HD12 ' A' ' 39' ' ' ILE . 53.8 Cg_endo -69.72 142.13 47.28 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.26 . . . . 0.0 112.375 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.02 152.76 43.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.658 ' HB2' HG21 ' A' ' 37' ' ' ILE . 23.6 p -114.0 152.8 30.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -94.28 -39.31 10.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.411 ' HB3' HD13 ' A' ' 34' ' ' ILE . 63.9 m-85 -58.95 167.47 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -119.33 141.39 49.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -71.94 130.53 41.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.94 32.55 56.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HB3' HD12 ' A' ' 34' ' ' ILE . 35.3 tt0 -107.75 123.31 48.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.736 0.303 . . . . 0.0 110.966 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.16 118.93 12.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.83 169.19 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.8 mt -98.55 112.11 24.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.816 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -101.58 140.05 36.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.458 ' NE ' ' O ' ' A' ' 27' ' ' GLY . 9.9 ttt180 -89.06 114.14 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -70.57 172.78 7.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.2 m -55.98 -32.63 64.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.58 -34.3 72.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.458 ' O ' ' NE ' ' A' ' 23' ' ' ARG . . . 118.05 -12.87 12.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.4 mt -88.56 155.47 19.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -96.13 135.17 38.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -125.95 162.11 25.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.764 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.7 tt -79.5 134.05 36.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.764 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -158.09 169.86 34.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.481 ' N ' HG23 ' A' ' 46' ' ' ILE . 72.1 m -120.13 131.84 55.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.754 0.312 . . . . 0.0 111.121 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.471 HD12 ' HB3' ' A' ' 18' ' ' GLN . 73.0 mt -64.63 128.44 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.08 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 7.9 mmmt -116.83 -35.98 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -145.26 155.28 43.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.658 HG21 ' HB2' ' A' ' 12' ' ' CYS . 45.6 mt -131.75 115.46 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -105.9 126.68 52.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.519 HD12 ' HB2' ' A' ' 10' ' ' PRO . 23.4 mt -90.37 -36.45 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mt -60.23 -43.61 95.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -96.94 -4.76 39.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 56.22 41.56 29.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.4 p -128.81 179.63 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.537 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 17.7 m -151.83 128.45 10.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.9 t80 -76.68 97.5 4.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.481 HG23 ' N ' ' A' ' 33' ' ' THR . 19.7 mt -107.71 147.61 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mt -106.42 113.14 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.707 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 66.2 m-85 -77.29 153.09 34.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.55 -21.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' PHE . 14.7 t0 -81.73 16.98 1.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' PHE . 79.9 p 53.42 26.19 5.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.2 m -105.55 125.63 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 6.0 mtpt -95.78 126.73 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -146.68 136.63 23.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -75.17 102.05 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.816 HG21 ' HB1' ' A' ' 22' ' ' ALA . 5.9 t -89.53 139.83 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.4 HD13 ' HE2' ' A' ' 59' ' ' LYS . 89.2 mt -70.39 144.68 51.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.555 ' HA ' HD12 ' A' ' 61' ' ' ILE . 42.4 m0 -51.68 -27.43 11.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' HE2' HD13 ' A' ' 57' ' ' LEU . 49.5 pttt -84.96 -25.88 27.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -87.34 -12.46 46.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.627 HD11 ' O ' ' A' ' 56' ' ' VAL . 13.2 mt -92.02 109.98 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -81.87 139.59 34.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.0 p -110.52 95.39 5.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.4 78.66 0.33 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.443 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.49 168.41 14.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -179.901 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -80.44 130.24 35.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -123.53 99.4 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.29 158.35 31.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -52.4 108.25 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.895 0.378 . . . . 0.0 110.867 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -101.52 149.76 23.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.63 -71.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.523 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.12 132.5 55.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -38.63 143.07 0.47 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.514 0.673 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 177.27 5.75 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -110.64 153.28 25.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.0 p -98.93 162.95 12.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -91.39 -39.76 11.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -69.18 172.2 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 16' ' ' GLU . 19.9 tt0 -126.85 146.25 50.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' HG2' ' A' ' 15' ' ' GLU . 27.1 mt-10 -75.98 131.67 39.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.839 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.71 27.46 60.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.532 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.474 ' HB3' HD12 ' A' ' 34' ' ' ILE . 26.2 tt0 -102.77 120.22 40.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.896 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 118.57 12.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.412 HG13 ' HG2' ' A' ' 18' ' ' GLN . 16.4 m -139.13 175.41 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.6 mt -104.24 113.62 27.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.833 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -102.14 139.97 37.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -88.18 113.57 23.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -70.09 172.48 7.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -58.41 -28.01 64.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -31.27 72.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.828 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.82 -13.01 17.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.524 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 mt -90.63 155.35 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.482 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 20.6 m-85 -94.07 140.04 30.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.426 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 58.7 m-85 -130.43 157.71 41.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.849 HD23 ' N ' ' A' ' 32' ' ' GLY . 4.5 tt -78.11 132.31 37.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.849 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -156.53 166.29 33.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.523 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.47 ' N ' HG23 ' A' ' 46' ' ' ILE . 89.5 m -115.37 131.08 57.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.743 0.306 . . . . 0.0 111.165 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 18' ' ' GLN . 76.7 mt -64.57 128.67 27.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.857 ' HD2' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -116.78 -37.64 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 17.3 mtmm -143.94 152.5 41.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.6 mt -129.3 115.95 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -108.11 122.85 47.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.6 mt -86.77 -37.56 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.36 -44.77 76.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -99.89 -1.0 38.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 53.94 44.29 29.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.7 p -128.37 178.96 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.544 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 10.8 m -152.43 127.73 9.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.6 t80 -76.67 95.64 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 33' ' ' THR . 22.9 mt -106.63 145.74 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.857 HD12 ' HD2' ' A' ' 35' ' ' LYS . 11.4 mt -104.63 110.07 29.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.681 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 71.0 m-85 -73.29 153.19 40.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -45.85 -21.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 48' ' ' PHE . 2.0 m-20 -81.71 16.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 48' ' ' PHE . 8.6 m 54.33 26.34 6.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.5 m -106.51 127.12 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.6 mtpt -96.03 128.75 43.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -149.33 133.51 17.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -72.73 101.82 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.833 HG21 ' HB1' ' A' ' 22' ' ' ALA . 9.0 t -89.2 140.28 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.9 mt -71.43 141.27 50.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.684 ' HA ' HD12 ' A' ' 61' ' ' ILE . 42.7 m0 -48.75 -31.78 7.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -80.59 -23.94 39.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -90.25 -13.08 36.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 58' ' ' TRP . 12.6 mt -90.23 107.04 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.482 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 12.1 tt0 -84.76 138.02 32.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' GLY . 77.6 p -110.2 95.02 5.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' THR . . . 34.45 63.51 0.45 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.468 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -118.25 135.84 54.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t -52.31 150.73 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.362 . . . . 0.0 110.91 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 m -47.69 168.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.39 -138.58 9.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -55.54 92.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -79.65 157.79 27.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.67 -120.27 0.77 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -73.91 155.05 39.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -96.5 158.18 34.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.569 0.7 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -172.78 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.258 . . . . 0.0 112.359 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.94 170.6 7.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.464 ' HB2' HG21 ' A' ' 37' ' ' ILE . 28.0 p -80.24 171.04 15.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' HE2' ' CE1' ' A' ' 14' ' ' PHE . 14.4 pttm -122.99 -38.6 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.439 ' CE1' ' HE2' ' A' ' 13' ' ' LYS . 65.0 m-85 -57.99 173.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -121.31 149.49 42.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -78.97 125.74 29.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.13 27.18 45.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.498 ' HB3' HD12 ' A' ' 34' ' ' ILE . 35.2 tt0 -105.01 123.8 48.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -70.71 131.62 44.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -151.58 172.76 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.6 mt -101.99 111.97 24.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.738 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.38 140.04 35.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.072 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.457 ' HG3' ' CE1' ' A' ' 29' ' ' PHE . 13.5 ttp180 -88.95 113.83 24.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -70.27 172.15 8.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -56.0 -32.23 63.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.03 -27.92 68.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.9 -13.75 26.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.7 mt -87.29 156.75 19.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.457 ' CE1' ' HG3' ' A' ' 23' ' ' ARG . 22.7 m-85 -98.03 137.08 37.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -127.24 162.79 25.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.832 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.7 tt -80.09 135.4 36.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.832 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -159.87 169.76 35.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.495 ' N ' HG23 ' A' ' 46' ' ' ILE . 51.7 m -120.82 129.96 53.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.743 0.306 . . . . 0.0 111.172 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.498 HD12 ' HB3' ' A' ' 18' ' ' GLN . 87.2 mt -63.7 125.88 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.666 ' HD2' HD12 ' A' ' 47' ' ' ILE . 7.5 mmpt? -113.55 -38.79 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 34.7 mtmt -142.81 163.38 32.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.464 HG21 ' HB2' ' A' ' 12' ' ' CYS . 19.4 mt -139.44 113.06 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -103.15 110.16 22.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.416 HG23 ' HH2' ' A' ' 58' ' ' TRP . 13.4 mt -72.28 -39.92 64.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mt -58.88 -44.73 91.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -92.87 -3.74 54.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 53.49 41.48 32.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.1 p -131.62 177.59 7.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.561 ' HG ' ' HD1' ' A' ' 58' ' ' TRP . 15.2 m -147.38 130.15 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.44 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.6 t80 -76.66 95.71 4.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.495 HG23 ' N ' ' A' ' 33' ' ' THR . 25.6 mt -106.48 147.08 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.186 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.666 HD12 ' HD2' ' A' ' 35' ' ' LYS . 6.2 mt -107.52 108.27 24.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 88.5 m-85 -71.3 151.9 43.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -44.88 -22.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' PHE . 4.6 m-20 -81.04 15.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' PHE . 19.1 p 55.84 25.04 8.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.1 m -104.0 126.54 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.44 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.29 128.61 43.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -149.59 136.14 19.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -75.71 101.48 5.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.738 HG21 ' HB1' ' A' ' 22' ' ' ALA . 3.2 t -88.79 139.27 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.893 HD13 ' HE2' ' A' ' 59' ' ' LYS . 76.3 mt -67.44 143.01 56.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.561 ' HD1' ' HG ' ' A' ' 44' ' ' CYS . 37.1 m0 -50.46 -30.07 11.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.893 ' HE2' HD13 ' A' ' 57' ' ' LEU . 22.8 pttt -82.35 -22.91 35.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.492 ' HB2' HG12 ' A' ' 56' ' ' VAL . 3.1 m-20 -88.34 -18.6 28.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.517 HD11 ' O ' ' A' ' 56' ' ' VAL . 21.7 mt -86.05 108.84 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -90.92 119.63 31.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.6 p -73.2 -35.13 66.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 137.97 114.58 1.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.22 99.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 0.0 111.082 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.4 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -86.99 97.82 10.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.893 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 p -85.22 150.63 24.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.92 53.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.457 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -90.44 170.04 10.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -53.15 136.87 35.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.62 76.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.442 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -43.44 124.77 3.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -146.08 144.85 22.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 0.0 110.862 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -178.04 2.16 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.351 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -119.58 -23.37 6.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.2 p -149.8 168.74 22.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HE2' ' CE2' ' A' ' 14' ' ' PHE . 19.7 pttm -111.25 -31.61 7.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.418 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 66.7 m-85 -71.32 171.01 11.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -127.78 145.92 50.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -76.51 130.05 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.97 29.11 55.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.527 ' HB3' HD12 ' A' ' 34' ' ' ILE . 27.6 tt0 -106.07 119.37 39.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -69.21 120.73 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.3 m -138.82 178.77 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.5 mt -107.64 112.11 24.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.827 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.85 143.93 30.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -91.4 112.7 24.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -70.18 173.73 6.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 p -57.97 -31.18 66.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -62.26 -26.48 68.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.24 -10.03 33.52 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 mt -90.6 157.04 17.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.421 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 25.7 m-85 -98.01 135.54 39.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.422 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 56.4 m-85 -125.61 162.45 24.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.6 tt -81.26 133.21 35.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.721 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -156.95 170.38 34.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.442 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.459 ' C ' HG23 ' A' ' 46' ' ' ILE . 97.0 m -119.98 132.16 55.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.7 0.286 . . . . 0.0 111.137 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.527 HD12 ' HB3' ' A' ' 18' ' ' GLN . 77.3 mt -64.56 126.35 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.945 ' HD2' HD12 ' A' ' 47' ' ' ILE . 8.1 mmpt? -113.89 -36.94 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 35.9 mtmt -144.88 161.36 39.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.5 mt -136.13 108.8 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -99.9 120.07 39.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.524 HG23 ' CH2' ' A' ' 58' ' ' TRP . 13.4 mt -84.59 -37.4 12.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.91 -49.79 74.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -91.98 -4.31 54.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 57.02 45.15 21.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.6 p -132.73 177.83 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 19.7 m -148.12 130.25 15.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.4 t80 -77.61 95.21 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.459 HG23 ' C ' ' A' ' 33' ' ' THR . 20.1 mt -106.4 146.11 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.945 HD12 ' HD2' ' A' ' 35' ' ' LYS . 9.9 mt -106.54 110.11 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.688 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 81.8 m-85 -72.45 158.7 35.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -50.27 -23.55 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.2 p30 -78.95 11.14 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.1 p 59.37 27.12 16.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -106.74 127.95 53.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.483 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 6.1 mtpt -96.06 127.29 41.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -147.19 130.07 16.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -71.04 101.51 2.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.827 HG21 ' HB1' ' A' ' 22' ' ' ALA . 11.0 t -88.78 138.01 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.562 HD13 ' HE3' ' A' ' 59' ' ' LYS . 88.3 mt -67.13 142.61 57.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.625 ' HA ' HD12 ' A' ' 61' ' ' ILE . 38.1 m0 -49.95 -21.99 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HE3' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -90.01 -29.51 18.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -82.09 -13.35 57.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.625 HD12 ' HA ' ' A' ' 58' ' ' TRP . 11.2 mt -89.95 111.44 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.421 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 6.0 tt0 -91.17 135.95 33.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.9 p -113.95 95.78 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.82 -177.95 20.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.475 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.44 97.95 11.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.912 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -94.95 -46.63 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -91.86 97.85 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.23 137.72 10.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.3 p -166.79 165.55 16.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 110.901 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 t -106.42 158.35 16.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.44 85.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -73.3 147.37 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 11.0 tttp -165.47 142.85 4.79 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.544 0.688 . . . . 0.0 110.889 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 54.2 Cg_endo -69.7 142.64 48.78 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.254 . . . . 0.0 112.379 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.745 ' HB1' ' CD1' ' A' ' 39' ' ' ILE . . . -75.55 -22.79 56.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.4 p -162.58 164.11 26.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.83 -29.53 2.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -54.51 170.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -127.95 146.15 50.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -78.22 129.28 34.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.08 23.8 60.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HB3' HD12 ' A' ' 34' ' ' ILE . 29.3 tt0 -98.98 123.52 43.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -72.07 121.82 19.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.436 HG13 ' HG2' ' A' ' 18' ' ' GLN . 15.5 m -142.31 -178.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.2 mt -110.1 112.57 24.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.837 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.81 140.12 35.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -88.36 113.57 24.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -70.34 172.33 8.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.2 m -55.61 -35.27 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -29.99 64.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.51 -12.46 23.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 mt -89.34 157.27 18.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.817 0.341 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 22.4 m-85 -94.96 143.24 26.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -133.45 160.72 36.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.622 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.5 tt -79.43 130.38 35.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.622 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -155.85 165.16 32.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.534 ' N ' HG23 ' A' ' 46' ' ' ILE . 99.6 m -117.07 129.88 56.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.334 . . . . 0.0 111.12 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.521 HD12 ' HB3' ' A' ' 18' ' ' GLN . 97.5 mt -62.28 131.49 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.749 ' HD2' HD12 ' A' ' 47' ' ' ILE . 6.0 mmpt? -120.73 -32.6 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 23.2 mtmm -146.81 158.91 44.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.6 mt -134.33 114.42 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 40' ' ' LEU . 43.6 t-20 -105.95 125.58 51.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.745 ' CD1' ' HB1' ' A' ' 11' ' ' ALA . 21.4 mt -90.4 -33.66 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.408 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 7.0 mt -60.9 -42.41 97.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -101.9 0.95 36.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 51.35 45.08 28.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.6 p -130.25 176.54 8.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.523 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 26.3 m -148.08 128.99 14.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.479 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.7 t80 -76.64 96.43 4.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.534 HG23 ' N ' ' A' ' 33' ' ' THR . 18.0 mt -107.88 140.93 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.749 HD12 ' HD2' ' A' ' 35' ' ' LYS . 10.9 mt -101.03 110.05 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.682 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 61.8 m-85 -73.01 152.37 41.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.52 -21.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -80.85 15.37 1.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 48' ' ' PHE . 6.2 m 56.05 25.08 8.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.5 m -103.85 126.26 50.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.479 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.6 mtpt -96.62 127.73 42.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -149.47 137.34 20.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -76.71 102.1 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.837 HG21 ' HB1' ' A' ' 22' ' ' ALA . 15.5 t -88.23 140.55 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.0 mt -72.31 142.02 48.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.562 ' HA ' HD12 ' A' ' 61' ' ' ILE . 44.9 m0 -49.38 -30.02 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.939 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -83.03 -25.4 32.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -88.16 -12.74 43.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.655 HG13 HG12 ' A' ' 56' ' ' VAL . 13.9 mt -91.53 109.11 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.479 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 12.4 tt0 -83.63 131.69 34.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 56.4 p -100.0 96.49 7.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.04 125.3 32.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.98 130.78 53.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.865 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -103.54 106.5 17.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.6 p -166.38 123.66 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.45 128.29 15.39 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -160.78 125.94 3.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -46.89 -44.73 19.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.34 110.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -71.58 165.65 23.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -140.91 143.86 33.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.69 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.04 19.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.243 . . . . 0.0 112.37 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.92 137.48 34.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.654 ' HB2' HG21 ' A' ' 37' ' ' ILE . 30.1 p -41.01 145.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -95.94 -40.24 9.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -56.91 173.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -125.68 148.9 48.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -77.32 130.91 37.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 73.55 31.88 60.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.53 ' HB3' HD12 ' A' ' 34' ' ' ILE . 34.3 tt0 -106.42 123.21 47.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.56 122.6 19.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.86 170.8 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.8 mt -98.82 112.5 24.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.874 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -101.62 140.58 35.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -89.2 113.62 24.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -70.16 173.24 6.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m -57.59 -28.76 63.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -63.3 -32.21 73.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.09 -13.44 16.69 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.6 mt -89.09 156.14 19.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 22.3 m-85 -94.71 139.43 31.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -130.69 159.15 38.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.8 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.8 tt -77.53 134.29 38.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.8 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -158.9 171.48 35.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.458 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.467 ' N ' HG23 ' A' ' 46' ' ' ILE . 97.1 m -122.28 129.52 52.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 111.122 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.53 HD12 ' HB3' ' A' ' 18' ' ' GLN . 90.7 mt -62.85 129.57 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.708 ' HD2' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -117.5 -35.21 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.821 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 28.9 mtmt -145.52 154.54 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.654 HG21 ' HB2' ' A' ' 12' ' ' CYS . 62.1 mt -131.19 111.01 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -102.38 117.96 35.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.5 mt -81.73 -37.28 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.162 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mt -57.86 -49.72 75.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -91.84 -2.68 56.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 54.57 44.06 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.486 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 16.0 p -130.68 179.06 6.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.509 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 9.6 m -151.36 128.23 10.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.7 t80 -76.66 95.98 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 33' ' ' THR . 21.0 mt -106.06 147.39 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.708 HD12 ' HD2' ' A' ' 35' ' ' LYS . 9.9 mt -107.56 111.94 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.615 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 74.9 m-85 -75.04 154.58 37.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -47.19 -20.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.13 16.1 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.7 m 55.21 25.49 7.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.3 m -104.24 126.39 51.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -96.59 126.86 42.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -147.16 138.67 24.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -78.93 101.86 7.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.874 HG21 ' HB1' ' A' ' 22' ' ' ALA . 4.9 t -89.05 140.54 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.13 143.63 52.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.611 ' HA ' HD12 ' A' ' 61' ' ' ILE . 40.7 m0 -50.55 -26.48 5.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -86.37 -23.48 26.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.93 -12.56 41.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 58' ' ' TRP . 10.7 mt -91.72 110.27 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.483 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 6.3 tt0 -83.75 135.85 34.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.0 p -107.27 96.07 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.51 -175.95 37.18 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 66' ' ' THR . . . -156.79 159.61 38.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 65' ' ' ALA . 15.0 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -100.1 175.98 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -76.59 -50.44 13.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.12 154.94 31.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 6' ' ' SER . 88.8 p -132.46 145.24 51.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.866 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 5' ' ' SER . 35.7 t -36.77 125.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.48 123.67 4.82 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.7 161.84 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.53 ' O ' HD13 ' A' ' 39' ' ' ILE . 2.1 ptmm? -143.48 131.54 11.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.55 0.691 . . . . 0.0 110.901 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.482 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.82 -173.21 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.647 2.231 . . . . 0.0 112.372 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 10' ' ' PRO . . . 71.23 44.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.056 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.466 ' HB2' HG21 ' A' ' 37' ' ' ILE . 29.5 p -36.71 146.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.0 pttt -81.32 -39.69 24.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -63.9 172.35 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -128.17 147.14 50.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -77.14 131.48 38.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.46 26.84 62.54 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.58 ' HB3' HD12 ' A' ' 34' ' ' ILE . 33.7 tt0 -102.2 122.22 43.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -69.16 125.05 25.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.5 m -148.45 173.93 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.2 mt -103.56 117.79 35.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.823 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -105.26 145.7 30.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -92.23 112.71 24.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -70.22 172.43 8.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.7 m -57.3 -27.93 62.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -64.9 -30.56 71.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.08 -13.34 21.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.435 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.5 mt -89.1 156.28 18.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.532 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 27.0 m-85 -95.02 138.09 33.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.459 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 57.1 m-85 -128.04 158.29 38.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.967 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.835 HD23 ' N ' ' A' ' 32' ' ' GLY . 4.9 tt -77.68 132.1 38.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.835 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -158.03 172.91 35.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.463 ' N ' HG23 ' A' ' 46' ' ' ILE . 97.8 m -123.14 132.78 54.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.733 0.301 . . . . 0.0 111.161 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.58 HD12 ' HB3' ' A' ' 18' ' ' GLN . 79.5 mt -63.4 133.73 28.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.911 ' HD2' HD12 ' A' ' 47' ' ' ILE . 6.9 mmpt? -122.24 -33.85 3.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 19.8 mtmm -147.52 155.9 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.466 HG21 ' HB2' ' A' ' 12' ' ' CYS . 49.9 mt -132.6 107.79 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -99.19 119.17 37.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.53 HD13 ' O ' ' A' ' 9' ' ' LYS . 14.8 mt -83.11 -37.31 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mt -56.81 -47.61 79.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -94.49 -3.79 49.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 56.17 44.47 25.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.464 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 14.0 p -131.01 179.82 5.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.511 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 13.2 m -151.06 129.63 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.493 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.4 t80 -78.15 97.3 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 33' ' ' THR . 20.1 mt -107.31 144.41 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.911 HD12 ' HD2' ' A' ' 35' ' ' LYS . 12.1 mt -104.8 110.01 29.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.727 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 66.3 m-85 -73.07 152.96 41.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -45.7 -21.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -81.81 16.49 1.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' PHE . 6.3 m 54.38 25.0 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 m -104.52 126.68 51.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.493 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.11 128.72 43.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -148.04 129.96 15.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.803 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -70.85 101.97 2.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.823 HG21 ' HB1' ' A' ' 22' ' ' ALA . 6.3 t -89.49 143.19 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -74.25 143.42 45.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.599 ' HA ' HD12 ' A' ' 61' ' ' ILE . 43.6 m0 -50.1 -31.47 13.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -83.79 -20.02 34.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -93.29 -9.55 38.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 58' ' ' TRP . 13.7 mt -94.16 109.27 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.532 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.9 tt0 -85.04 140.96 30.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 75.6 p -117.72 96.43 5.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.99 -90.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.13 108.38 9.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 111.128 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.7 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.895 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.2 p -101.54 119.33 38.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -91.85 170.3 9.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.39 137.04 24.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -87.51 98.43 11.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.81 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 t -109.98 84.29 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.96 -95.85 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -53.94 134.17 43.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.349 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.473 ' CD ' ' HD2' ' A' ' 10' ' ' PRO . 4.0 tppp? -125.77 137.18 29.51 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.926 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.473 ' HD2' ' CD ' ' A' ' 9' ' ' LYS . 53.3 Cg_endo -69.78 132.29 22.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.301 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.95 163.42 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.46 ' HB2' HG21 ' A' ' 37' ' ' ILE . 30.4 p -70.26 160.94 31.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -102.16 -36.81 8.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.463 ' HB3' HD13 ' A' ' 34' ' ' ILE . 64.9 m-85 -65.99 173.67 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -123.44 143.67 50.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.7 130.62 40.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.81 27.89 59.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.504 ' HB3' HD12 ' A' ' 34' ' ' ILE . 35.4 tt0 -104.93 121.62 44.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.325 . . . . 0.0 110.931 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.27 126.82 30.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.0 m -147.48 170.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 mt -99.99 112.72 25.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.864 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.87 143.57 30.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -91.05 113.67 26.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.16 172.1 8.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 m -56.42 -30.36 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -61.72 -33.83 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.91 -13.42 12.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.1 mt -89.0 157.79 18.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 110.949 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 25.2 m-85 -96.45 138.7 33.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -129.4 159.86 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.836 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.3 tt -77.57 135.0 38.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.836 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -160.36 171.04 36.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.468 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.437 ' N ' HG23 ' A' ' 46' ' ' ILE . 50.4 m -121.04 132.48 54.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 111.17 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.504 HD12 ' HB3' ' A' ' 18' ' ' GLN . 77.8 mt -63.91 121.39 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 9.9 mmmt -108.32 -40.0 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 18.3 mtmm -142.85 162.12 36.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.46 HG21 ' HB2' ' A' ' 12' ' ' CYS . 52.8 mt -139.08 109.94 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 41' ' ' LYS . 62.5 t-20 -100.45 110.85 23.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.603 HG23 ' HH2' ' A' ' 58' ' ' TRP . 13.6 mt -73.65 -39.8 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mt -59.13 -46.56 88.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 4.1 mmpt? -88.85 -7.92 55.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 58.63 38.91 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.538 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 14.6 p -129.53 -177.76 4.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.538 ' HG ' ' C ' ' A' ' 43' ' ' SER . 10.4 m -153.62 127.74 9.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.7 t80 -76.47 96.9 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 33' ' ' THR . 25.1 mt -105.93 145.44 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.442 ' O ' HG22 ' A' ' 47' ' ' ILE . 11.1 mt -105.85 111.2 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.598 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 72.5 m-85 -74.81 153.28 38.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -45.8 -21.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' PHE . 30.6 t70 -81.65 16.5 1.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' PHE . 9.5 m 54.57 25.02 5.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.5 m -103.64 126.39 50.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.7 mtpt -96.84 126.9 42.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -145.9 140.61 27.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -81.13 101.93 9.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.864 HG21 ' HB1' ' A' ' 22' ' ' ALA . 4.1 t -89.75 143.87 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.172 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.402 HD13 ' HE3' ' A' ' 59' ' ' LYS . 77.0 mt -73.79 142.7 46.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.603 ' HH2' HG23 ' A' ' 39' ' ' ILE . 42.2 m0 -49.92 -26.56 4.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.402 ' HE3' HD13 ' A' ' 57' ' ' LEU . 14.5 pttp -85.75 -25.01 26.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.916 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -87.28 -15.2 38.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 58' ' ' TRP . 13.5 mt -87.82 112.17 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.465 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 11.1 tt0 -86.99 138.02 31.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.1 p -113.96 96.04 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.87 -93.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.488 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -129.82 172.11 12.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.0 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.178 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -98.81 154.96 17.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m -58.54 106.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.4 151.33 32.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.538 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -120.72 100.97 7.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -53.16 123.16 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.09 45.65 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.473 ' HE2' ' N ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -40.71 105.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -49.25 157.77 0.82 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 110.924 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 133.51 25.8 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.468 ' O ' HD13 ' A' ' 39' ' ' ILE . . . -102.05 34.24 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.0 p -139.43 165.68 26.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.89 -43.08 4.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -52.83 170.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -125.09 141.68 51.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -73.77 128.56 35.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.14 30.01 55.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -106.3 125.64 51.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.2 127.62 33.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.8 m -150.06 173.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.3 mt -102.79 112.62 25.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.751 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -99.68 142.34 31.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -90.36 113.97 25.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -70.81 171.74 10.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t -54.86 -36.6 65.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.75 -30.48 63.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.91 -11.78 22.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.443 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.7 mt -89.51 156.3 18.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.463 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 23.8 m-85 -94.08 143.96 25.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -133.76 160.54 37.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.1 tt -80.78 131.61 35.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.558 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -157.14 169.64 34.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.471 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.527 HG22 ' HE3' ' A' ' 35' ' ' LYS . 89.0 m -119.99 127.66 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 111.181 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.5 mt -65.52 134.26 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.527 ' HE3' HG22 ' A' ' 33' ' ' THR . 9.4 mmpt? -124.48 -31.75 3.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.441 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 28.9 mtmt -145.73 157.82 43.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.6 mt -135.33 113.71 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -103.89 111.28 23.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.752 HG23 ' HH2' ' A' ' 58' ' ' TRP . 12.9 mt -74.67 -40.35 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mt -58.91 -45.87 89.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -90.99 -2.16 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 52.17 42.43 30.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.8 p -133.75 178.57 6.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.504 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 27.3 m -149.58 131.84 15.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.477 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.58 96.75 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 33' ' ' THR . 19.2 mt -110.31 141.68 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.445 HD12 ' HD2' ' A' ' 35' ' ' LYS . 10.8 mt -101.46 110.19 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.641 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 82.8 m-85 -73.59 152.77 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.32 -22.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 48' ' ' PHE . 22.1 t70 -81.36 17.33 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' PHE . 87.0 p 52.89 25.92 4.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.1 m -104.64 126.65 51.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.2 mtpt -95.92 127.44 41.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -149.69 135.03 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -71.98 102.05 2.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.751 HG21 ' HB1' ' A' ' 22' ' ' ALA . 18.5 t -86.68 137.19 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 60' ' ' ASP . 88.2 mt -68.88 138.2 54.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.752 ' HH2' HG23 ' A' ' 39' ' ' ILE . 41.8 m0 -46.93 -30.0 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.99 -28.12 35.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 57' ' ' LEU . 88.8 m-20 -85.93 -14.13 45.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.709 HD11 ' O ' ' A' ' 56' ' ' VAL . 10.9 mt -89.64 110.28 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.463 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 4.6 tt0 -83.91 128.77 34.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.1 p -99.19 99.71 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.129 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.54 98.78 0.69 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.15 165.76 34.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 111.086 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.2 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 -179.937 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -130.91 131.83 44.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 0.0 110.83 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -115.38 89.25 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.2 -150.2 25.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -95.99 105.19 17.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.856 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 p -54.19 152.21 6.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.84 57.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.549 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -148.31 111.91 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.1 145.45 38.18 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.572 0.701 . . . . 0.0 110.932 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.33 47.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -169.85 121.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.522 ' HB2' HG21 ' A' ' 37' ' ' ILE . 16.2 p -74.38 173.76 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.27 -26.93 4.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -67.84 168.5 11.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -116.21 140.92 48.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -75.25 122.32 23.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.03 21.03 47.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.498 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' HB3' HD12 ' A' ' 34' ' ' ILE . 33.2 tt0 -100.77 123.96 45.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 110.942 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.441 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.6 p30 -70.02 136.78 50.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 19' ' ' ASP . 17.4 m -156.93 172.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.0 mt -100.13 112.62 24.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.832 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -99.81 139.43 35.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -88.97 114.0 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -70.19 173.02 7.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -55.88 -33.78 64.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.11 -27.5 67.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.72 -11.94 30.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt -88.14 155.34 19.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.87 0.367 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 21.3 m-85 -94.49 141.68 28.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -131.98 162.13 31.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.483 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.0 tt -80.09 128.36 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.483 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -153.43 167.78 31.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.533 ' N ' HG23 ' A' ' 46' ' ' ILE . 67.6 m -120.56 129.81 53.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 111.099 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 18' ' ' GLN . 92.9 mt -63.38 123.88 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 10.7 mmmm -111.86 -38.29 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 15.4 mtpp -139.54 166.97 23.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.522 HG21 ' HB2' ' A' ' 12' ' ' CYS . 56.4 mt -140.41 123.44 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -117.5 120.68 38.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 mt -86.45 -35.47 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 mt -59.89 -43.47 94.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -101.09 3.8 41.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 47.67 47.14 18.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.0 p -131.29 176.7 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.561 ' HG ' ' HD1' ' A' ' 58' ' ' TRP . 18.6 m -149.9 129.35 13.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.522 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.79 93.9 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.533 HG23 ' N ' ' A' ' 33' ' ' THR . 22.7 mt -105.58 141.69 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.476 ' O ' HG22 ' A' ' 47' ' ' ILE . 10.1 mt -101.57 109.42 25.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.684 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 66.6 m-85 -72.87 151.63 41.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.88 -21.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 48' ' ' PHE . 15.4 t70 -80.18 14.39 1.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' PHE . 8.0 m 56.21 25.01 8.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.9 m -105.32 126.53 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.522 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.8 mtpt -95.77 129.33 43.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -150.76 136.09 17.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -74.41 101.57 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.832 HG21 ' HB1' ' A' ' 22' ' ' ALA . 15.3 t -87.87 138.5 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.722 HD13 ' HE2' ' A' ' 59' ' ' LYS . 67.2 mt -68.41 141.76 55.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.65 ' HA ' HD12 ' A' ' 61' ' ' ILE . 40.5 m0 -50.39 -21.87 1.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.722 ' HE2' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.97 -28.97 19.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.05 -7.31 58.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.695 HD11 ' O ' ' A' ' 56' ' ' VAL . 12.0 mt -96.0 106.44 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.489 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 13.2 tt0 -83.09 118.76 23.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.0 p -86.78 101.0 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.93 147.2 16.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -120.26 143.79 48.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.182 -179.93 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 1' ' ' GLY . 49.1 m -36.71 115.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -122.41 97.16 5.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.77 -139.26 2.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m 51.74 41.93 29.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.83 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -108.13 -49.35 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.44 -126.94 8.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -46.99 99.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -109.33 154.98 41.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.566 0.698 . . . . 0.0 110.87 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -176.61 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.702 2.268 . . . . 0.0 112.372 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -109.68 165.9 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.9 p -70.33 178.84 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.0 pttt -133.12 -36.32 1.02 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.437 ' HB3' HD13 ' A' ' 34' ' ' ILE . 67.4 m-85 -62.22 172.16 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -122.31 145.06 48.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -74.72 129.88 38.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.41 29.1 60.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HB3' HD12 ' A' ' 34' ' ' ILE . 35.6 tt0 -103.53 120.73 41.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.54 120.34 15.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.5 m -140.75 178.28 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.0 mt -105.74 112.47 25.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.811 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.67 142.43 32.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HG3' ' CE1' ' A' ' 29' ' ' PHE . 5.6 ttt180 -90.32 112.18 23.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.19 173.55 6.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -57.57 -31.48 66.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.7 -26.13 68.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.6 -13.15 32.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -86.99 156.19 19.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.449 ' CE1' ' HG3' ' A' ' 23' ' ' ARG . 24.4 m-85 -98.3 134.09 41.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.437 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 54.0 m-85 -123.39 162.63 22.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.833 HD23 ' N ' ' A' ' 32' ' ' GLY . 4.6 tt -81.98 131.07 35.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.833 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -155.16 172.08 33.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.465 ' N ' HG23 ' A' ' 46' ' ' ILE . 65.5 m -121.78 130.86 53.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.739 0.304 . . . . 0.0 111.128 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 18' ' ' GLN . 85.8 mt -65.15 133.89 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.561 ' HD2' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -123.19 -35.68 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 24.2 mtmm -144.01 153.95 42.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.6 mt -131.2 113.61 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -103.13 124.43 48.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.4 mt -86.94 -37.26 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 40' ' ' LEU . 3.8 mt -57.52 -49.68 75.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -93.59 -0.11 56.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 51.86 45.33 28.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.4 p -129.68 178.67 6.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.484 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 9.7 m -149.94 129.34 12.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.477 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.98 97.77 4.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 33' ' ' THR . 24.5 mt -109.27 145.98 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.561 HD12 ' HD2' ' A' ' 35' ' ' LYS . 10.2 mt -105.75 113.71 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.737 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 76.6 m-85 -77.78 153.17 33.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -45.71 -21.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 48' ' ' PHE . 10.8 t70 -81.82 16.79 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.5 p 53.44 27.78 6.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.5 m -107.53 125.95 51.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -95.92 125.95 40.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -145.37 135.21 23.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -75.26 101.91 4.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.811 HG21 ' HB1' ' A' ' 22' ' ' ALA . 6.4 t -87.46 148.33 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 88.8 mt -77.63 140.82 39.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.635 ' HA ' HD12 ' A' ' 61' ' ' ILE . 41.1 m0 -47.67 -28.57 2.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -85.72 -26.67 25.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.06 -12.79 52.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 58' ' ' TRP . 11.3 mt -91.06 110.22 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -83.25 134.77 34.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 46.9 p -108.19 100.97 10.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.74 95.72 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -132.08 140.27 48.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 -179.907 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 p -171.11 155.01 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -75.96 85.19 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.15 104.94 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.5 p -71.99 94.91 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.388 . . . . 0.0 110.894 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.4 p -169.69 158.83 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -142.0 -141.61 3.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 7' ' ' GLY . 45.1 mtmt -35.82 126.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 152.39 94.83 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.583 0.706 . . . . 0.0 110.876 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -174.47 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.361 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.4 175.02 9.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.068 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.463 ' HB2' HG21 ' A' ' 37' ' ' ILE . 21.3 p -119.9 166.17 13.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -112.22 -36.97 5.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -54.19 175.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.448 ' OE1' ' C ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -128.61 152.1 48.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -84.51 122.14 28.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.77 21.11 48.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -100.97 123.48 45.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.772 0.32 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -69.18 129.79 40.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.8 m -149.32 175.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.7 mt -105.38 113.98 27.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.94 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -101.91 145.13 29.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -93.1 113.89 26.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -70.91 172.78 8.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -56.58 -32.77 65.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -60.91 -27.62 68.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.15 -9.53 31.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.5 mt -90.88 156.83 17.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.9 m-85 -96.31 138.46 33.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.45 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 54.5 m-85 -128.86 162.96 26.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.813 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.4 tt -81.2 135.48 35.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.813 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -161.1 168.26 36.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.499 ' C ' HG23 ' A' ' 46' ' ' ILE . 88.9 m -119.65 130.31 55.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.327 . . . . 0.0 111.199 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.59 133.94 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' HE3' HG22 ' A' ' 33' ' ' THR . 9.4 mmpt? -122.36 -33.06 3.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 15.1 mtmm -144.17 163.37 33.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.463 HG21 ' HB2' ' A' ' 12' ' ' CYS . 43.2 mt -137.94 112.65 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.407 ' ND2' ' HB2' ' A' ' 41' ' ' LYS . 49.1 t-20 -103.0 121.89 43.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.637 HG23 ' HH2' ' A' ' 58' ' ' TRP . 16.8 mt -87.69 -33.89 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.4 -45.82 91.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.407 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 72.7 mttt -93.17 -7.8 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 59.73 43.37 15.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.5 p -133.61 176.31 8.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.468 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 32.6 m -144.16 131.31 20.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CZ ' ' HD3' ' A' ' 53' ' ' LYS . 1.4 t80 -76.68 96.54 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.499 HG23 ' C ' ' A' ' 33' ' ' THR . 20.0 mt -111.07 142.46 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.56 HG22 ' O ' ' A' ' 47' ' ' ILE . 3.3 mt -104.04 109.82 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.673 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 68.4 m-85 -71.58 153.09 42.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -45.78 -21.47 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 48' ' ' PHE . 40.3 m-20 -81.71 16.06 1.93 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' PHE . 13.7 m 53.33 29.73 9.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -112.44 120.84 43.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.567 ' HD3' ' CZ ' ' A' ' 45' ' ' PHE . 15.0 mttt -86.86 134.63 33.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -153.16 123.95 7.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -67.67 101.85 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.94 HG21 ' HB1' ' A' ' 22' ' ' ALA . 18.1 t -89.26 137.53 21.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.88 141.07 56.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.643 ' HA ' HD12 ' A' ' 61' ' ' ILE . 45.9 m0 -48.74 -31.96 7.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.51 -25.05 38.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -88.59 -13.35 40.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.713 HD11 ' O ' ' A' ' 56' ' ' VAL . 13.8 mt -90.17 111.82 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.48 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.4 tt0 -84.95 136.59 33.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.2 p -110.91 95.55 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.47 -83.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -136.23 148.21 47.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.37 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.1 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 -179.885 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -95.27 -52.67 4.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.91 0.386 . . . . 0.0 110.887 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -85.37 135.81 33.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.32 164.64 12.8 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -78.4 108.97 12.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 0.0 110.878 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -111.9 41.57 1.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.25 -149.31 38.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -128.1 155.06 45.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -109.09 143.45 27.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.516 0.674 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 107.61 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.357 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -152.71 154.53 35.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.7 p -141.31 142.62 33.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -108.55 -26.3 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -51.4 167.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -124.81 140.55 52.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -73.16 133.78 44.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.25 26.18 74.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.48 ' HB3' HD12 ' A' ' 34' ' ' ILE . 34.1 tt0 -101.37 126.64 48.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.918 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.83 132.41 46.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.3 m -154.4 171.79 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.5 mt -102.15 113.82 27.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.759 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -101.92 144.19 30.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ttm-85 -91.08 111.87 23.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.15 172.26 8.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t -55.77 -29.92 60.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -65.0 -26.21 68.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.64 -14.03 32.48 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.5 mt -85.47 157.04 20.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.406 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.9 m-85 -98.77 133.17 43.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.406 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 53.4 m-85 -122.87 161.32 24.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.773 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.9 tt -80.7 133.53 35.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.773 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -158.45 174.45 35.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.49 ' N ' HG23 ' A' ' 46' ' ' ILE . 94.6 m -124.61 131.14 53.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.753 0.311 . . . . 0.0 111.136 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 18' ' ' GLN . 82.0 mt -63.24 132.24 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.735 ' HD2' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -119.95 -36.18 3.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.41 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 28.0 mtmt -145.39 155.2 43.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.5 mt -132.12 108.73 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -97.11 112.27 24.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.412 HG23 ' HH2' ' A' ' 58' ' ' TRP . 13.4 mt -75.57 -38.02 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.92 -45.24 94.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -90.03 -9.28 49.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 59.47 39.01 22.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.449 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 14.2 p -128.83 -178.37 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.498 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 25.3 m -151.36 127.99 10.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.5 t80 -76.97 95.71 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 33' ' ' THR . 20.2 mt -105.66 147.18 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.735 HD12 ' HD2' ' A' ' 35' ' ' LYS . 11.0 mt -107.06 109.88 29.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.696 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 71.6 m-85 -73.83 152.94 40.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.472 ' HG2' HD22 ' A' ' 31' ' ' LEU . 37.2 mm-40 -45.56 -21.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' PHE . 1.1 m-20 -81.73 16.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' PHE . 8.9 m 53.69 27.87 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.4 m -107.33 126.34 52.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.815 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.6 mtpt -96.25 126.74 41.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -145.85 135.99 23.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -75.13 101.82 4.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.759 HG21 ' HB1' ' A' ' 22' ' ' ALA . 11.0 t -89.74 138.89 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.68 140.8 53.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.582 ' HA ' HD12 ' A' ' 61' ' ' ILE . 41.4 m0 -47.59 -32.11 5.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -25.07 33.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -87.31 -9.88 53.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.617 HD11 ' O ' ' A' ' 56' ' ' VAL . 14.7 mt -94.46 111.19 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 8.2 tt0 -84.62 125.8 32.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.5 p -98.5 99.01 10.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.41 124.95 37.64 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -106.99 133.66 51.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.788 0.328 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.882 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 m -82.64 99.66 9.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.869 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 p 37.97 41.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.91 -55.61 2.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 p -68.04 -51.86 42.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -166.29 157.06 12.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.56 -101.07 0.14 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 tptt -86.28 149.52 25.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 36.3 ttmt -101.63 140.1 20.94 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.604 0.716 . . . . 0.0 110.861 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 53.5 Cg_endo -69.78 153.49 68.77 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.686 2.258 . . . . 0.0 112.347 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -147.94 156.25 42.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.627 ' HB2' HG21 ' A' ' 37' ' ' ILE . 24.1 p -99.57 172.89 7.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -125.58 -34.87 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.427 ' HB3' HD13 ' A' ' 34' ' ' ILE . 66.4 m-85 -61.63 171.67 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -121.21 146.35 46.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -74.08 132.85 42.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.08 31.41 66.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.556 ' HB3' HD12 ' A' ' 34' ' ' ILE . 34.3 tt0 -105.03 122.87 46.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -69.5 120.45 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.2 m -141.25 173.67 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 mt -103.11 114.49 28.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.805 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -104.85 140.06 38.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -88.73 114.67 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -70.38 171.43 10.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 m -55.31 -29.82 59.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.17 -34.12 75.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.49 -14.37 11.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.6 mt -88.41 156.34 19.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -95.03 138.89 32.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -129.45 158.92 37.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.783 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.7 tt -78.06 134.76 37.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.783 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -159.65 168.9 35.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.458 ' N ' HG23 ' A' ' 46' ' ' ILE . 86.5 m -118.59 131.99 56.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 111.146 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.556 HD12 ' HB3' ' A' ' 18' ' ' GLN . 86.1 mt -65.54 129.22 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.618 ' HD2' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -117.62 -32.89 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.489 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 16.4 mtpp -145.16 156.28 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.627 HG21 ' HB2' ' A' ' 12' ' ' CYS . 67.6 mt -133.62 106.94 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -100.06 120.59 40.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.596 HG23 ' HH2' ' A' ' 58' ' ' TRP . 17.0 mt -86.69 -34.32 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 mt -61.2 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -96.91 -4.47 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 56.73 43.57 25.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.484 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 16.0 p -131.53 -179.99 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.536 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 18.2 m -152.19 127.91 10.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' CB ' ' HB2' ' A' ' 36' ' ' LYS . 1.6 t80 -76.61 96.0 4.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 33' ' ' THR . 20.9 mt -107.25 146.46 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.618 HD12 ' HD2' ' A' ' 35' ' ' LYS . 9.7 mt -106.85 111.66 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 70.6 m-85 -74.45 153.08 39.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -46.16 -21.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 48' ' ' PHE . 12.6 m-20 -81.06 15.14 1.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.6 m 56.03 26.42 9.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.2 m -105.3 126.46 52.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.475 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -96.7 126.82 42.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -148.36 138.23 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -77.55 102.0 6.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.805 HG21 ' HB1' ' A' ' 22' ' ' ALA . 7.4 t -88.85 136.39 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.95 143.29 55.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.637 ' HA ' HD12 ' A' ' 61' ' ' ILE . 44.8 m0 -50.95 -30.42 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -81.7 -23.97 36.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.925 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -91.27 -8.8 47.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.741 HD11 ' O ' ' A' ' 56' ' ' VAL . 14.5 mt -94.36 111.8 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -82.41 139.7 33.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.6 p -110.39 95.28 5.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.93 -173.54 43.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.27 173.97 7.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.161 -179.921 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -112.53 42.14 1.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -122.22 101.84 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.816 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.88 96.63 0.19 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 m -119.81 103.01 8.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -148.88 131.72 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.57 79.09 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 mmtt -147.4 121.16 9.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.75 154.27 94.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.931 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.553 ' HB2' HG21 ' A' ' 39' ' ' ILE . 54.4 Cg_endo -69.7 115.56 4.14 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.281 . . . . 0.0 112.372 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -123.72 149.84 45.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.868 ' HB2' HG21 ' A' ' 37' ' ' ILE . 27.9 p -106.44 81.09 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.42 -24.02 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -66.45 171.77 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -132.09 149.82 52.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.79 130.44 35.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.77 29.56 57.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.405 ' HB3' HD12 ' A' ' 34' ' ' ILE . 33.6 tt0 -109.16 124.66 51.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -69.05 136.0 51.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.3 m -156.03 176.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.7 mt -105.53 113.72 27.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.775 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.35 142.85 31.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -91.1 112.32 24.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -70.17 172.26 8.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -52.71 -41.75 64.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -54.48 -24.15 19.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.09 -8.08 41.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.5 mt -88.88 158.15 18.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -98.67 141.59 31.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -132.85 161.55 33.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.666 HD23 ' N ' ' A' ' 32' ' ' GLY . 6.2 tt -78.63 133.7 37.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.666 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -157.77 173.77 35.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.591 HG22 ' HE3' ' A' ' 35' ' ' LYS . 90.7 m -124.32 129.78 51.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.134 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.405 HD12 ' HB3' ' A' ' 18' ' ' GLN . 91.4 mt -66.21 127.69 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.598 ' HD2' HD12 ' A' ' 47' ' ' ILE . 8.9 mmpt? -117.42 -32.45 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 13.6 mtpp -144.97 156.65 44.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.868 HG21 ' HB2' ' A' ' 12' ' ' CYS . 45.6 mt -134.58 107.52 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -99.36 117.82 34.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.662 HG23 ' HH2' ' A' ' 58' ' ' TRP . 16.9 mt -83.02 -35.3 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.79 -47.35 86.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -93.85 -2.24 53.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 54.93 43.3 30.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.5 p -131.41 178.4 6.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.543 ' HG ' ' HD1' ' A' ' 58' ' ' TRP . 12.6 m -150.48 130.35 13.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.486 ' CB ' ' HB2' ' A' ' 36' ' ' LYS . 1.8 t80 -76.91 98.97 5.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 33' ' ' THR . 28.4 mt -110.22 149.04 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.598 HD12 ' HD2' ' A' ' 35' ' ' LYS . 7.9 mt -110.62 111.2 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.638 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 83.2 m-85 -74.45 151.96 39.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -45.11 -21.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 48' ' ' PHE . 22.2 t70 -80.69 14.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 48' ' ' PHE . 6.9 m 55.95 25.18 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -104.48 126.17 51.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.43 127.16 42.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -148.19 131.99 17.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -72.88 102.36 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.775 HG21 ' HB1' ' A' ' 22' ' ' ALA . 2.9 t -89.94 141.18 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.446 HD13 ' HE2' ' A' ' 59' ' ' LYS . 97.7 mt -71.1 144.83 50.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.662 ' HH2' HG23 ' A' ' 39' ' ' ILE . 44.4 m0 -50.62 -29.17 10.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.446 ' HE2' HD13 ' A' ' 57' ' ' LEU . 15.3 pttt -81.56 -22.84 37.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.622 ' HB2' HG12 ' A' ' 56' ' ' VAL . 96.1 m-20 -90.07 -18.53 25.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.531 HD11 ' O ' ' A' ' 56' ' ' VAL . 16.2 mt -87.3 110.7 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.09 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -87.12 124.32 33.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.7 p -90.58 98.12 11.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.526 ' O ' ' HB3' ' A' ' 65' ' ' ALA . . . -93.05 -137.72 8.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 64' ' ' GLY . . . 72.79 40.54 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.128 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -179.903 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -117.52 166.68 12.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.908 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 p -51.57 -45.94 63.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.6 -45.19 2.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -101.34 99.07 9.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 m -124.39 114.35 19.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.75 178.44 13.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -160.07 143.37 13.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -121.09 150.25 53.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.435 ' O ' HG21 ' A' ' 39' ' ' ILE . 54.0 Cg_endo -69.73 151.6 69.3 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.743 2.296 . . . . 0.0 112.335 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.23 173.36 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 24.5 p -91.54 177.93 6.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.19 -32.06 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -55.12 174.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -127.43 138.01 52.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.64 130.25 42.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.28 32.11 56.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.522 ' HB3' HD12 ' A' ' 34' ' ' ILE . 34.3 tt0 -108.92 124.49 50.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.69 134.05 48.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.0 m -155.89 173.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 mt -103.27 115.55 30.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.753 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -103.12 143.14 32.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -90.0 112.24 23.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -70.08 172.62 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -55.02 -33.34 62.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.31 -27.27 68.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.43 -13.14 30.63 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.538 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.0 mt -86.4 157.84 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 110.948 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.1 m-85 -97.94 138.17 35.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.416 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 58.0 m-85 -128.93 159.98 34.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.649 HD23 ' N ' ' A' ' 32' ' ' GLY . 6.7 tt -77.87 133.02 38.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.947 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.649 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -157.44 172.77 34.86 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.497 ' N ' HG23 ' A' ' 46' ' ' ILE . 89.4 m -124.16 131.65 53.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 111.117 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' A' ' 18' ' ' GLN . 74.2 mt -62.42 126.22 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 8.0 mmmt -114.96 -33.03 5.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 14.8 mtpp -146.66 165.16 30.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 57.6 mt -140.82 107.25 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -97.94 111.29 23.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.445 ' HA ' ' CZ2' ' A' ' 58' ' ' TRP . 8.1 mt -73.5 -41.01 56.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 mt -60.87 -47.75 84.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.976 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -85.12 -7.74 58.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 56.72 33.41 22.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.486 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 8.3 p -124.57 -177.33 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.519 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 18.7 m -151.73 128.88 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.4 t80 -76.65 95.77 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 33' ' ' THR . 19.6 mt -105.51 146.12 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.18 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.441 ' O ' HG22 ' A' ' 47' ' ' ILE . 9.1 mt -106.41 112.03 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.692 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 72.9 m-85 -75.92 152.34 37.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.474 ' HG2' HD22 ' A' ' 31' ' ' LEU . 54.6 mm-40 -45.15 -21.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' PHE . 7.8 m-20 -80.74 14.85 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 48' ' ' PHE . 13.4 p 55.77 24.99 7.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.8 m -105.09 126.17 51.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 6.1 mtpt -95.66 128.32 42.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -146.61 136.8 23.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -76.14 102.07 5.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.753 HG21 ' HB1' ' A' ' 22' ' ' ALA . 11.2 t -87.95 147.94 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.497 HD13 ' HE2' ' A' ' 59' ' ' LYS . 81.9 mt -78.28 140.54 38.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.623 ' HA ' HD12 ' A' ' 61' ' ' ILE . 40.3 m0 -48.96 -29.59 4.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.497 ' HE2' HD13 ' A' ' 57' ' ' LEU . 58.9 pttt -86.33 -23.07 26.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.865 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.18 -12.18 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 58' ' ' TRP . 12.9 mt -90.43 108.75 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.456 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.8 tt0 -86.69 123.8 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.2 p -92.93 95.04 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.59 95.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -99.02 39.39 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.826 0.346 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.7 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.136 -179.919 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 p -121.61 -15.36 8.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 m 39.42 46.1 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.66 173.33 23.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -47.06 166.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 t -138.08 145.72 42.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.14 40.84 3.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -117.16 151.26 37.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.341 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -145.92 138.24 13.61 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 102.96 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.25 87.58 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 24.9 p -114.9 158.31 22.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -94.97 -34.62 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -71.52 170.6 13.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -123.25 146.76 47.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -77.83 128.14 33.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.15 29.07 57.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -107.43 124.41 49.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.318 . . . . 0.0 110.918 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.15 132.64 46.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.4 m -152.56 174.76 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.0 mt -103.47 114.46 28.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.727 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -102.4 142.81 33.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.5 ttm-85 -91.05 112.18 23.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -70.19 172.07 8.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -55.33 -32.86 62.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.42 -27.8 68.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.15 -8.64 31.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.1 mt -91.06 156.36 17.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.837 0.351 . . . . 0.0 110.928 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.3 m-85 -96.05 138.59 33.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -129.14 161.63 29.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.751 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.7 tt -80.4 131.24 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.751 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -156.16 168.87 33.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.51 HG22 ' HE3' ' A' ' 35' ' ' LYS . 97.9 m -119.56 130.94 55.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 111.154 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.93 130.99 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.672 ' HD2' HD12 ' A' ' 47' ' ' ILE . 9.1 mmpt? -119.95 -34.89 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.496 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 20.3 mtpt -141.64 156.62 45.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.2 mt -134.45 106.32 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -96.82 124.07 40.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.8 mt -88.7 -33.07 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.47 -45.12 92.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -95.07 -3.94 47.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 55.82 39.59 30.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.44 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 19.3 p -125.93 179.75 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.514 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 13.3 m -150.59 128.6 11.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 53' ' ' LYS . 1.9 t80 -76.69 96.82 4.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 33' ' ' THR . 25.1 mt -109.03 147.82 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.672 HD12 ' HD2' ' A' ' 35' ' ' LYS . 8.5 mt -108.62 111.26 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.676 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 77.8 m-85 -74.51 152.53 39.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HG2' HD22 ' A' ' 31' ' ' LEU . 8.0 mm-40 -45.58 -21.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' PHE . 3.7 m-20 -81.29 15.92 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' PHE . 10.8 p 54.47 28.62 9.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -107.76 126.12 52.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.41 125.91 41.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -147.23 137.36 23.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -76.12 101.59 5.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.731 ' O ' HD11 ' A' ' 61' ' ' ILE . 5.3 t -88.83 135.22 26.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.86 142.04 57.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.599 ' HA ' HD12 ' A' ' 61' ' ' ILE . 44.7 m0 -48.86 -29.83 5.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -81.54 -25.86 35.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.69 -13.19 43.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.731 HD11 ' O ' ' A' ' 56' ' ' VAL . 12.5 mt -91.69 111.53 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.504 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.3 tt0 -86.79 140.08 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.3 p -112.77 95.6 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.14 -159.47 0.14 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.512 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.04 139.5 30.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 -179.913 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 p -66.59 160.33 25.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.387 . . . . 0.0 110.849 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.7 m -71.96 138.04 47.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.818 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -138.55 -81.54 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 90.2 p 36.39 42.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.388 . . . . 0.0 110.871 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -95.81 143.2 27.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.04 -93.61 0.14 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -85.17 157.55 20.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.458 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 74.8 tttt -101.76 140.83 21.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.588 0.709 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 53.4 Cg_endo -69.79 135.04 29.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.712 2.275 . . . . 0.0 112.308 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -174.75 151.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.7 p -88.87 166.53 13.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -125.34 -25.54 3.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -58.82 167.55 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -118.32 146.96 43.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -78.55 125.28 29.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.41 27.13 49.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.53 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.46 ' HB3' HD12 ' A' ' 34' ' ' ILE . 33.0 tt0 -104.51 125.12 50.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.42 134.34 48.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.6 m -155.27 174.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.3 mt -104.18 112.76 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.926 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.3 140.93 33.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -89.66 114.26 25.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -70.08 173.09 6.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 p -55.02 -35.53 64.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.33 -28.83 65.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.67 -10.42 27.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.15 156.8 18.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.81 0.338 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.482 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 24.3 m-85 -95.96 140.55 30.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.843 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.45 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 58.5 m-85 -131.09 161.92 31.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.933 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.2 tt -79.2 129.36 34.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.577 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -155.2 171.07 33.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.468 ' N ' HG23 ' A' ' 46' ' ' ILE . 59.8 m -122.29 132.38 54.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.103 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.46 HD12 ' HB3' ' A' ' 18' ' ' GLN . 92.3 mt -65.22 122.18 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 10.8 mmmm -109.97 -35.07 6.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 31.7 mtpt -142.59 165.93 26.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.2 mt -140.97 115.01 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -109.11 126.44 53.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.8 mt -91.6 -35.02 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.2 mt -59.1 -41.47 88.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -103.32 1.32 32.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 51.33 43.18 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.49 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 14.1 p -127.16 178.77 5.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.551 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 15.2 m -151.77 128.96 11.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.528 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.7 t80 -76.54 95.09 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.468 HG23 ' N ' ' A' ' 33' ' ' THR . 24.0 mt -105.88 146.27 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.467 ' O ' HG22 ' A' ' 47' ' ' ILE . 8.9 mt -106.92 110.66 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.654 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 71.6 m-85 -73.48 154.82 39.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -47.63 -22.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' OD1' ' CB ' ' A' ' 52' ' ' SER . 28.6 p30 -79.86 12.76 2.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 p 58.17 25.74 12.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.464 ' CB ' ' OD1' ' A' ' 50' ' ' ASP . 5.4 m -105.25 126.42 52.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.528 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -95.76 127.91 42.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -148.99 133.61 17.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -72.72 103.21 3.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.926 HG21 ' HB1' ' A' ' 22' ' ' ALA . 16.5 t -89.3 145.16 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.582 HD13 ' HE2' ' A' ' 59' ' ' LYS . 75.3 mt -75.23 141.62 43.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.551 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 44.0 m0 -50.01 -32.68 15.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.582 ' HE2' HD13 ' A' ' 57' ' ' LEU . 38.8 pttt -81.63 -20.32 39.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.26 -15.02 26.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.585 HG13 HG12 ' A' ' 56' ' ' VAL . 16.3 mt -88.79 107.81 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.482 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 8.4 tt0 -86.59 112.92 22.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.0 p -68.31 100.26 1.03 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.19 81.55 0.31 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.32 123.84 47.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 111.086 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.91 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 pttp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -53.1 174.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.445 ' OE1' ' C ' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -132.42 147.49 52.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -82.52 121.18 26.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.34 16.88 48.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.535 ' HB3' HD12 ' A' ' 34' ' ' ILE . 33.6 tt0 -96.52 123.59 40.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.26 121.7 19.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.0 m -141.26 173.95 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.0 mt -103.25 113.66 27.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.769 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -101.92 144.16 30.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -90.96 113.61 25.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -70.21 172.1 8.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -56.48 -30.52 63.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -61.65 -34.48 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.36 -13.0 12.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.53 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.0 mt -89.35 156.32 18.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.847 0.356 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 25.0 m-85 -95.01 138.21 33.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -128.98 160.47 32.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.823 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.5 tt -79.01 135.64 36.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.823 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -160.21 165.89 35.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.485 ' N ' HG23 ' A' ' 46' ' ' ILE . 91.1 m -116.02 130.83 56.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.689 0.281 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 18' ' ' GLN . 80.0 mt -63.77 128.05 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.134 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.929 ' HD2' HD12 ' A' ' 47' ' ' ILE . 8.6 mmpt? -116.16 -37.45 3.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 20.7 mtmt -143.08 160.15 40.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.2 mt -137.46 108.44 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -99.57 117.18 33.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.463 HG23 ' CH2' ' A' ' 58' ' ' TRP . 15.1 mt -81.67 -35.18 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.21 -43.72 95.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -97.71 -4.55 37.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 56.84 43.43 24.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.463 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 14.1 p -129.5 179.16 5.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.548 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 25.5 m -151.52 128.03 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.81 97.18 4.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.485 HG23 ' N ' ' A' ' 33' ' ' THR . 21.5 mt -107.82 145.18 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.929 HD12 ' HD2' ' A' ' 35' ' ' LYS . 9.9 mt -105.93 111.66 35.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 75.0 m-85 -74.92 152.85 38.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -45.68 -21.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' PHE . 55.9 m-20 -81.11 14.99 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' PHE . 14.0 m 55.74 25.71 8.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.4 m -105.3 126.56 52.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.472 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.8 mtpt -96.09 127.44 42.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -146.92 132.89 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -73.81 102.01 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.769 HG21 ' HB1' ' A' ' 22' ' ' ALA . 11.2 t -88.69 144.85 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.5 141.33 41.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 44.2 m0 -48.77 -30.35 5.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 pttm -82.88 -24.38 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -89.83 -12.7 38.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.575 HG13 HG12 ' A' ' 56' ' ' VAL . 14.6 mt -91.43 109.75 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.453 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.7 tt0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 14' ' ' PHE . 21.7 pttp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.428 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 67.4 m-85 -48.58 172.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -125.86 142.95 51.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -73.08 129.87 39.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.32 27.53 55.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HB3' HD12 ' A' ' 34' ' ' ILE . 34.3 tt0 -102.47 121.55 42.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.02 116.67 12.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -136.88 179.7 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.9 mt -109.46 112.46 24.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.683 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.56 144.13 29.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -91.17 112.87 24.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.32 171.91 9.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t -55.36 -30.91 61.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.12 -27.28 69.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.44 -13.91 30.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.8 mt -86.68 155.71 20.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.5 m-85 -95.76 138.48 33.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -129.53 159.21 37.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.761 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.3 tt -77.86 133.49 38.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.761 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -157.82 164.83 33.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.467 ' N ' HG23 ' A' ' 46' ' ' ILE . 61.3 m -115.97 130.4 56.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.32 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.521 HD12 ' HB3' ' A' ' 18' ' ' GLN . 80.5 mt -64.79 134.58 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.663 ' HD2' HD12 ' A' ' 47' ' ' ILE . 7.2 mmpt? -124.02 -30.8 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -149.27 153.04 36.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.7 mt -130.11 116.79 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -109.32 124.15 50.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.577 HG23 ' CH2' ' A' ' 58' ' ' TRP . 12.0 mt -89.02 -37.33 9.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.9 mt -55.03 -41.78 71.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -102.75 -4.4 25.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 57.45 47.0 17.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.497 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 12.4 p -132.84 179.07 6.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.507 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 15.4 m -151.87 129.43 11.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.5 t80 -76.61 96.51 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 33' ' ' THR . 35.0 mt -107.29 146.15 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.663 HD12 ' HD2' ' A' ' 35' ' ' LYS . 9.1 mt -105.39 110.26 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.618 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 84.7 m-85 -73.97 152.92 39.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -45.07 -21.8 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 48' ' ' PHE . 1.7 m-20 -81.52 15.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' PHE . 10.7 m 54.56 25.05 5.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 m -104.53 127.03 52.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.7 mtpt -96.21 127.87 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -148.59 131.79 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -71.9 102.24 2.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.683 HG21 ' HB1' ' A' ' 22' ' ' ALA . 3.4 t -91.17 137.68 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.83 143.78 56.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.577 ' CH2' HG23 ' A' ' 39' ' ' ILE . 45.0 m0 -49.58 -32.31 12.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.84 -26.58 44.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.415 ' HB2' HG12 ' A' ' 56' ' ' VAL . 51.2 m-20 -85.4 -18.03 34.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.677 HD11 ' O ' ' A' ' 56' ' ' VAL . 15.3 mt -88.15 106.75 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 6.8 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.0 pttt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.81 0.338 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.411 ' HB3' HD13 ' A' ' 34' ' ' ILE . 63.9 m-85 -58.95 167.47 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -119.33 141.39 49.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -71.94 130.53 41.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.94 32.55 56.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HB3' HD12 ' A' ' 34' ' ' ILE . 35.3 tt0 -107.75 123.31 48.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.736 0.303 . . . . 0.0 110.966 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.16 118.93 12.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.83 169.19 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.8 mt -98.55 112.11 24.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.816 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -101.58 140.05 36.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.458 ' NE ' ' O ' ' A' ' 27' ' ' GLY . 9.9 ttt180 -89.06 114.14 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -70.57 172.78 7.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.2 m -55.98 -32.63 64.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.58 -34.3 72.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.458 ' O ' ' NE ' ' A' ' 23' ' ' ARG . . . 118.05 -12.87 12.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.4 mt -88.56 155.47 19.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -96.13 135.17 38.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -125.95 162.11 25.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.764 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.7 tt -79.5 134.05 36.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.764 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -158.09 169.86 34.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.481 ' N ' HG23 ' A' ' 46' ' ' ILE . 72.1 m -120.13 131.84 55.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.754 0.312 . . . . 0.0 111.121 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.471 HD12 ' HB3' ' A' ' 18' ' ' GLN . 73.0 mt -64.63 128.44 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.08 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 7.9 mmmt -116.83 -35.98 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -145.26 155.28 43.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mt -131.75 115.46 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -105.9 126.68 52.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.4 mt -90.37 -36.45 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mt -60.23 -43.61 95.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -96.94 -4.76 39.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 56.22 41.56 29.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.4 p -128.81 179.63 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.537 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 17.7 m -151.83 128.45 10.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.9 t80 -76.68 97.5 4.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.481 HG23 ' N ' ' A' ' 33' ' ' THR . 19.7 mt -107.71 147.61 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mt -106.42 113.14 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.707 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 66.2 m-85 -77.29 153.09 34.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.55 -21.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' PHE . 14.7 t0 -81.73 16.98 1.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' PHE . 79.9 p 53.42 26.19 5.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.2 m -105.55 125.63 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 6.0 mtpt -95.78 126.73 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -146.68 136.63 23.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -75.17 102.05 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.816 HG21 ' HB1' ' A' ' 22' ' ' ALA . 5.9 t -89.53 139.83 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.4 HD13 ' HE2' ' A' ' 59' ' ' LYS . 89.2 mt -70.39 144.68 51.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.555 ' HA ' HD12 ' A' ' 61' ' ' ILE . 42.4 m0 -51.68 -27.43 11.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' HE2' HD13 ' A' ' 57' ' ' LEU . 49.5 pttt -84.96 -25.88 27.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -87.34 -12.46 46.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.627 HD11 ' O ' ' A' ' 56' ' ' VAL . 13.2 mt -92.02 109.98 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.948 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.79 0.329 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -69.18 172.2 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 16' ' ' GLU . 19.9 tt0 -126.85 146.25 50.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' HG2' ' A' ' 15' ' ' GLU . 27.1 mt-10 -75.98 131.67 39.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.839 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.71 27.46 60.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.532 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.474 ' HB3' HD12 ' A' ' 34' ' ' ILE . 26.2 tt0 -102.77 120.22 40.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.896 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 118.57 12.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.412 HG13 ' HG2' ' A' ' 18' ' ' GLN . 16.4 m -139.13 175.41 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.6 mt -104.24 113.62 27.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.833 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -102.14 139.97 37.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -88.18 113.57 23.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -70.09 172.48 7.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -58.41 -28.01 64.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -31.27 72.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.828 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.82 -13.01 17.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.524 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 mt -90.63 155.35 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.482 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 20.6 m-85 -94.07 140.04 30.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.426 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 58.7 m-85 -130.43 157.71 41.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.849 HD23 ' N ' ' A' ' 32' ' ' GLY . 4.5 tt -78.11 132.31 37.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.849 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -156.53 166.29 33.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.523 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.47 ' N ' HG23 ' A' ' 46' ' ' ILE . 89.5 m -115.37 131.08 57.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.743 0.306 . . . . 0.0 111.165 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 18' ' ' GLN . 76.7 mt -64.57 128.67 27.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.857 ' HD2' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -116.78 -37.64 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 17.3 mtmm -143.94 152.5 41.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.6 mt -129.3 115.95 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -108.11 122.85 47.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.6 mt -86.77 -37.56 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.36 -44.77 76.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -99.89 -1.0 38.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 53.94 44.29 29.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.7 p -128.37 178.96 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.544 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 10.8 m -152.43 127.73 9.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.6 t80 -76.67 95.64 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 33' ' ' THR . 22.9 mt -106.63 145.74 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.857 HD12 ' HD2' ' A' ' 35' ' ' LYS . 11.4 mt -104.63 110.07 29.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.681 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 71.0 m-85 -73.29 153.19 40.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -45.85 -21.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 48' ' ' PHE . 2.0 m-20 -81.71 16.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 48' ' ' PHE . 8.6 m 54.33 26.34 6.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.5 m -106.51 127.12 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.6 mtpt -96.03 128.75 43.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -149.33 133.51 17.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -72.73 101.82 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.833 HG21 ' HB1' ' A' ' 22' ' ' ALA . 9.0 t -89.2 140.28 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.9 mt -71.43 141.27 50.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.684 ' HA ' HD12 ' A' ' 61' ' ' ILE . 42.7 m0 -48.75 -31.78 7.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -80.59 -23.94 39.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -90.25 -13.08 36.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 58' ' ' TRP . 12.6 mt -90.23 107.04 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.482 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 12.1 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' HE2' ' CE1' ' A' ' 14' ' ' PHE . 14.4 pttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.811 0.339 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.439 ' CE1' ' HE2' ' A' ' 13' ' ' LYS . 65.0 m-85 -57.99 173.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -121.31 149.49 42.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -78.97 125.74 29.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.13 27.18 45.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.498 ' HB3' HD12 ' A' ' 34' ' ' ILE . 35.2 tt0 -105.01 123.8 48.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -70.71 131.62 44.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -151.58 172.76 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.6 mt -101.99 111.97 24.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.738 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.38 140.04 35.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.072 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.457 ' HG3' ' CE1' ' A' ' 29' ' ' PHE . 13.5 ttp180 -88.95 113.83 24.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -70.27 172.15 8.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -56.0 -32.23 63.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.03 -27.92 68.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.9 -13.75 26.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.7 mt -87.29 156.75 19.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.457 ' CE1' ' HG3' ' A' ' 23' ' ' ARG . 22.7 m-85 -98.03 137.08 37.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -127.24 162.79 25.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.832 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.7 tt -80.09 135.4 36.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.832 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -159.87 169.76 35.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.495 ' N ' HG23 ' A' ' 46' ' ' ILE . 51.7 m -120.82 129.96 53.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.743 0.306 . . . . 0.0 111.172 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.498 HD12 ' HB3' ' A' ' 18' ' ' GLN . 87.2 mt -63.7 125.88 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.666 ' HD2' HD12 ' A' ' 47' ' ' ILE . 7.5 mmpt? -113.55 -38.79 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 34.7 mtmt -142.81 163.38 32.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.407 HG13 ' C ' ' A' ' 36' ' ' LYS . 19.4 mt -139.44 113.06 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -103.15 110.16 22.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.416 HG23 ' HH2' ' A' ' 58' ' ' TRP . 13.4 mt -72.28 -39.92 64.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mt -58.88 -44.73 91.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -92.87 -3.74 54.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 53.49 41.48 32.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.1 p -131.62 177.59 7.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.561 ' HG ' ' HD1' ' A' ' 58' ' ' TRP . 15.2 m -147.38 130.15 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.44 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.6 t80 -76.66 95.71 4.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.495 HG23 ' N ' ' A' ' 33' ' ' THR . 25.6 mt -106.48 147.08 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.186 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.666 HD12 ' HD2' ' A' ' 35' ' ' LYS . 6.2 mt -107.52 108.27 24.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 88.5 m-85 -71.3 151.9 43.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -44.88 -22.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' PHE . 4.6 m-20 -81.04 15.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' PHE . 19.1 p 55.84 25.04 8.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.1 m -104.0 126.54 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.44 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.29 128.61 43.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -149.59 136.14 19.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -75.71 101.48 5.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.738 HG21 ' HB1' ' A' ' 22' ' ' ALA . 3.2 t -88.79 139.27 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.893 HD13 ' HE2' ' A' ' 59' ' ' LYS . 76.3 mt -67.44 143.01 56.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.561 ' HD1' ' HG ' ' A' ' 44' ' ' CYS . 37.1 m0 -50.46 -30.07 11.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.893 ' HE2' HD13 ' A' ' 57' ' ' LEU . 22.8 pttt -82.35 -22.91 35.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.492 ' HB2' HG12 ' A' ' 56' ' ' VAL . 3.1 m-20 -88.34 -18.6 28.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.517 HD11 ' O ' ' A' ' 56' ' ' VAL . 21.7 mt -86.05 108.84 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HE2' ' CE2' ' A' ' 14' ' ' PHE . 19.7 pttm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.81 0.338 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.418 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 66.7 m-85 -71.32 171.01 11.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -127.78 145.92 50.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -76.51 130.05 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.97 29.11 55.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.527 ' HB3' HD12 ' A' ' 34' ' ' ILE . 27.6 tt0 -106.07 119.37 39.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -69.21 120.73 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.3 m -138.82 178.77 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.5 mt -107.64 112.11 24.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.827 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.85 143.93 30.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -91.4 112.7 24.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -70.18 173.73 6.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 p -57.97 -31.18 66.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -62.26 -26.48 68.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.24 -10.03 33.52 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 mt -90.6 157.04 17.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.421 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 25.7 m-85 -98.01 135.54 39.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.422 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 56.4 m-85 -125.61 162.45 24.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.6 tt -81.26 133.21 35.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.721 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -156.95 170.38 34.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.442 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.459 ' C ' HG23 ' A' ' 46' ' ' ILE . 97.0 m -119.98 132.16 55.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.7 0.286 . . . . 0.0 111.137 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.527 HD12 ' HB3' ' A' ' 18' ' ' GLN . 77.3 mt -64.56 126.35 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.945 ' HD2' HD12 ' A' ' 47' ' ' ILE . 8.1 mmpt? -113.89 -36.94 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 35.9 mtmt -144.88 161.36 39.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.5 mt -136.13 108.8 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -99.9 120.07 39.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.524 HG23 ' CH2' ' A' ' 58' ' ' TRP . 13.4 mt -84.59 -37.4 12.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.91 -49.79 74.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -91.98 -4.31 54.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 57.02 45.15 21.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.6 p -132.73 177.83 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.485 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 19.7 m -148.12 130.25 15.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.4 t80 -77.61 95.21 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.459 HG23 ' C ' ' A' ' 33' ' ' THR . 20.1 mt -106.4 146.11 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.945 HD12 ' HD2' ' A' ' 35' ' ' LYS . 9.9 mt -106.54 110.11 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.688 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 81.8 m-85 -72.45 158.7 35.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -50.27 -23.55 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.2 p30 -78.95 11.14 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.1 p 59.37 27.12 16.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -106.74 127.95 53.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.483 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 6.1 mtpt -96.06 127.29 41.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -147.19 130.07 16.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -71.04 101.51 2.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.827 HG21 ' HB1' ' A' ' 22' ' ' ALA . 11.0 t -88.78 138.01 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.562 HD13 ' HE3' ' A' ' 59' ' ' LYS . 88.3 mt -67.13 142.61 57.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.625 ' HA ' HD12 ' A' ' 61' ' ' ILE . 38.1 m0 -49.95 -21.99 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HE3' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -90.01 -29.51 18.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -82.09 -13.35 57.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.625 HD12 ' HA ' ' A' ' 58' ' ' TRP . 11.2 mt -89.95 111.44 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.421 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 6.0 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.837 0.351 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -54.51 170.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -127.95 146.15 50.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -78.22 129.28 34.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.08 23.8 60.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HB3' HD12 ' A' ' 34' ' ' ILE . 29.3 tt0 -98.98 123.52 43.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -72.07 121.82 19.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.436 HG13 ' HG2' ' A' ' 18' ' ' GLN . 15.5 m -142.31 -178.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.2 mt -110.1 112.57 24.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.837 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.81 140.12 35.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -88.36 113.57 24.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -70.34 172.33 8.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.2 m -55.61 -35.27 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -29.99 64.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.51 -12.46 23.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 mt -89.34 157.27 18.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.817 0.341 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 22.4 m-85 -94.96 143.24 26.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -133.45 160.72 36.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.622 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.5 tt -79.43 130.38 35.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.622 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -155.85 165.16 32.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.534 ' N ' HG23 ' A' ' 46' ' ' ILE . 99.6 m -117.07 129.88 56.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.334 . . . . 0.0 111.12 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.521 HD12 ' HB3' ' A' ' 18' ' ' GLN . 97.5 mt -62.28 131.49 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.749 ' HD2' HD12 ' A' ' 47' ' ' ILE . 6.0 mmpt? -120.73 -32.6 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 23.2 mtmm -146.81 158.91 44.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.6 mt -134.33 114.42 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 40' ' ' LEU . 43.6 t-20 -105.95 125.58 51.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.4 mt -90.4 -33.66 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.408 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 7.0 mt -60.9 -42.41 97.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -101.9 0.95 36.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 51.35 45.08 28.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.6 p -130.25 176.54 8.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.523 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 26.3 m -148.08 128.99 14.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.479 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.7 t80 -76.64 96.43 4.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.534 HG23 ' N ' ' A' ' 33' ' ' THR . 18.0 mt -107.88 140.93 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.749 HD12 ' HD2' ' A' ' 35' ' ' LYS . 10.9 mt -101.03 110.05 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.682 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 61.8 m-85 -73.01 152.37 41.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.52 -21.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -80.85 15.37 1.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 48' ' ' PHE . 6.2 m 56.05 25.08 8.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.5 m -103.85 126.26 50.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.479 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.6 mtpt -96.62 127.73 42.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -149.47 137.34 20.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -76.71 102.1 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.837 HG21 ' HB1' ' A' ' 22' ' ' ALA . 15.5 t -88.23 140.55 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.0 mt -72.31 142.02 48.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.562 ' HA ' HD12 ' A' ' 61' ' ' ILE . 44.9 m0 -49.38 -30.02 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.939 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -83.03 -25.4 32.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -88.16 -12.74 43.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.655 HG13 HG12 ' A' ' 56' ' ' VAL . 13.9 mt -91.53 109.11 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.479 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 12.4 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 pttm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.842 0.353 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -56.91 173.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -125.68 148.9 48.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -77.32 130.91 37.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 73.55 31.88 60.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.53 ' HB3' HD12 ' A' ' 34' ' ' ILE . 34.3 tt0 -106.42 123.21 47.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.56 122.6 19.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.86 170.8 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.8 mt -98.82 112.5 24.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.874 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -101.62 140.58 35.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -89.2 113.62 24.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -70.16 173.24 6.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m -57.59 -28.76 63.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -63.3 -32.21 73.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.09 -13.44 16.69 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.6 mt -89.09 156.14 19.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 22.3 m-85 -94.71 139.43 31.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -130.69 159.15 38.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.8 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.8 tt -77.53 134.29 38.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.8 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -158.9 171.48 35.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.458 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.467 ' N ' HG23 ' A' ' 46' ' ' ILE . 97.1 m -122.28 129.52 52.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 111.122 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.53 HD12 ' HB3' ' A' ' 18' ' ' GLN . 90.7 mt -62.85 129.57 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.708 ' HD2' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -117.5 -35.21 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.821 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 28.9 mtmt -145.52 154.54 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.1 mt -131.19 111.01 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -102.38 117.96 35.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.5 mt -81.73 -37.28 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.162 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mt -57.86 -49.72 75.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -91.84 -2.68 56.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 54.57 44.06 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.486 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 16.0 p -130.68 179.06 6.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.509 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 9.6 m -151.36 128.23 10.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.7 t80 -76.66 95.98 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 33' ' ' THR . 21.0 mt -106.06 147.39 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.708 HD12 ' HD2' ' A' ' 35' ' ' LYS . 9.9 mt -107.56 111.94 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.615 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 74.9 m-85 -75.04 154.58 37.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -47.19 -20.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.13 16.1 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.7 m 55.21 25.49 7.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.3 m -104.24 126.39 51.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -96.59 126.86 42.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -147.16 138.67 24.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -78.93 101.86 7.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.874 HG21 ' HB1' ' A' ' 22' ' ' ALA . 4.9 t -89.05 140.54 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.13 143.63 52.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.611 ' HA ' HD12 ' A' ' 61' ' ' ILE . 40.7 m0 -50.55 -26.48 5.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -86.37 -23.48 26.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.93 -12.56 41.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 58' ' ' TRP . 10.7 mt -91.72 110.27 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.483 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 6.3 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.0 pttt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.8 0.333 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -63.9 172.35 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -128.17 147.14 50.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -77.14 131.48 38.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.46 26.84 62.54 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.58 ' HB3' HD12 ' A' ' 34' ' ' ILE . 33.7 tt0 -102.2 122.22 43.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -69.16 125.05 25.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.5 m -148.45 173.93 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.2 mt -103.56 117.79 35.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.823 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -105.26 145.7 30.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -92.23 112.71 24.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -70.22 172.43 8.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.7 m -57.3 -27.93 62.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -64.9 -30.56 71.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.08 -13.34 21.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.435 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.5 mt -89.1 156.28 18.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.532 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 27.0 m-85 -95.02 138.09 33.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.459 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 57.1 m-85 -128.04 158.29 38.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.967 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.835 HD23 ' N ' ' A' ' 32' ' ' GLY . 4.9 tt -77.68 132.1 38.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.835 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -158.03 172.91 35.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.463 ' N ' HG23 ' A' ' 46' ' ' ILE . 97.8 m -123.14 132.78 54.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.733 0.301 . . . . 0.0 111.161 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.58 HD12 ' HB3' ' A' ' 18' ' ' GLN . 79.5 mt -63.4 133.73 28.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.911 ' HD2' HD12 ' A' ' 47' ' ' ILE . 6.9 mmpt? -122.24 -33.85 3.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 19.8 mtmm -147.52 155.9 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.9 mt -132.6 107.79 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -99.19 119.17 37.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.433 HG23 ' CH2' ' A' ' 58' ' ' TRP . 14.8 mt -83.11 -37.31 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mt -56.81 -47.61 79.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -94.49 -3.79 49.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 56.17 44.47 25.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.464 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 14.0 p -131.01 179.82 5.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.511 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 13.2 m -151.06 129.63 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.493 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.4 t80 -78.15 97.3 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 33' ' ' THR . 20.1 mt -107.31 144.41 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.911 HD12 ' HD2' ' A' ' 35' ' ' LYS . 12.1 mt -104.8 110.01 29.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.727 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 66.3 m-85 -73.07 152.96 41.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -45.7 -21.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -81.81 16.49 1.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' PHE . 6.3 m 54.38 25.0 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 m -104.52 126.68 51.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.493 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.11 128.72 43.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -148.04 129.96 15.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.803 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -70.85 101.97 2.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.823 HG21 ' HB1' ' A' ' 22' ' ' ALA . 6.3 t -89.49 143.19 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -74.25 143.42 45.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.599 ' HA ' HD12 ' A' ' 61' ' ' ILE . 43.6 m0 -50.1 -31.47 13.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -83.79 -20.02 34.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -93.29 -9.55 38.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 58' ' ' TRP . 13.7 mt -94.16 109.27 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.532 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.9 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.463 ' HB3' HD13 ' A' ' 34' ' ' ILE . 64.9 m-85 -65.99 173.67 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -123.44 143.67 50.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.7 130.62 40.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.81 27.89 59.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.504 ' HB3' HD12 ' A' ' 34' ' ' ILE . 35.4 tt0 -104.93 121.62 44.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.325 . . . . 0.0 110.931 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.27 126.82 30.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.0 m -147.48 170.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 mt -99.99 112.72 25.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.864 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.87 143.57 30.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -91.05 113.67 26.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.16 172.1 8.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 m -56.42 -30.36 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -61.72 -33.83 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.91 -13.42 12.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.1 mt -89.0 157.79 18.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 110.949 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 25.2 m-85 -96.45 138.7 33.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -129.4 159.86 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.836 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.3 tt -77.57 135.0 38.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.836 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -160.36 171.04 36.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.468 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.437 ' N ' HG23 ' A' ' 46' ' ' ILE . 50.4 m -121.04 132.48 54.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 111.17 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.504 HD12 ' HB3' ' A' ' 18' ' ' GLN . 77.8 mt -63.91 121.39 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 9.9 mmmt -108.32 -40.0 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 18.3 mtmm -142.85 162.12 36.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.8 mt -139.08 109.94 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 41' ' ' LYS . 62.5 t-20 -100.45 110.85 23.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.603 HG23 ' HH2' ' A' ' 58' ' ' TRP . 13.6 mt -73.65 -39.8 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mt -59.13 -46.56 88.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 4.1 mmpt? -88.85 -7.92 55.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 58.63 38.91 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.538 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 14.6 p -129.53 -177.76 4.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.538 ' HG ' ' C ' ' A' ' 43' ' ' SER . 10.4 m -153.62 127.74 9.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.7 t80 -76.47 96.9 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 33' ' ' THR . 25.1 mt -105.93 145.44 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.442 ' O ' HG22 ' A' ' 47' ' ' ILE . 11.1 mt -105.85 111.2 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.598 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 72.5 m-85 -74.81 153.28 38.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -45.8 -21.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' PHE . 30.6 t70 -81.65 16.5 1.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' PHE . 9.5 m 54.57 25.02 5.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.5 m -103.64 126.39 50.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.7 mtpt -96.84 126.9 42.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -145.9 140.61 27.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -81.13 101.93 9.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.864 HG21 ' HB1' ' A' ' 22' ' ' ALA . 4.1 t -89.75 143.87 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.172 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.402 HD13 ' HE3' ' A' ' 59' ' ' LYS . 77.0 mt -73.79 142.7 46.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.603 ' HH2' HG23 ' A' ' 39' ' ' ILE . 42.2 m0 -49.92 -26.56 4.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.402 ' HE3' HD13 ' A' ' 57' ' ' LEU . 14.5 pttp -85.75 -25.01 26.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.916 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -87.28 -15.2 38.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 58' ' ' TRP . 13.5 mt -87.82 112.17 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.465 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 11.1 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.937 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.807 0.337 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -52.83 170.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -125.09 141.68 51.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -73.77 128.56 35.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.14 30.01 55.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -106.3 125.64 51.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.2 127.62 33.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.8 m -150.06 173.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.3 mt -102.79 112.62 25.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.751 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -99.68 142.34 31.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -90.36 113.97 25.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -70.81 171.74 10.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t -54.86 -36.6 65.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.75 -30.48 63.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.91 -11.78 22.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.443 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.7 mt -89.51 156.3 18.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.463 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 23.8 m-85 -94.08 143.96 25.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -133.76 160.54 37.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.1 tt -80.78 131.61 35.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.558 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -157.14 169.64 34.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.471 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.527 HG22 ' HE3' ' A' ' 35' ' ' LYS . 89.0 m -119.99 127.66 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 111.181 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.5 mt -65.52 134.26 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.527 ' HE3' HG22 ' A' ' 33' ' ' THR . 9.4 mmpt? -124.48 -31.75 3.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.441 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 28.9 mtmt -145.73 157.82 43.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.6 mt -135.33 113.71 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -103.89 111.28 23.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.752 HG23 ' HH2' ' A' ' 58' ' ' TRP . 12.9 mt -74.67 -40.35 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mt -58.91 -45.87 89.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -90.99 -2.16 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 52.17 42.43 30.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.8 p -133.75 178.57 6.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.504 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 27.3 m -149.58 131.84 15.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.477 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.58 96.75 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 33' ' ' THR . 19.2 mt -110.31 141.68 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.445 HD12 ' HD2' ' A' ' 35' ' ' LYS . 10.8 mt -101.46 110.19 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.641 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 82.8 m-85 -73.59 152.77 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.32 -22.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 48' ' ' PHE . 22.1 t70 -81.36 17.33 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' PHE . 87.0 p 52.89 25.92 4.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.1 m -104.64 126.65 51.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.477 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.2 mtpt -95.92 127.44 41.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -149.69 135.03 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -71.98 102.05 2.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.751 HG21 ' HB1' ' A' ' 22' ' ' ALA . 18.5 t -86.68 137.19 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 60' ' ' ASP . 88.2 mt -68.88 138.2 54.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.752 ' HH2' HG23 ' A' ' 39' ' ' ILE . 41.8 m0 -46.93 -30.0 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.99 -28.12 35.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 57' ' ' LEU . 88.8 m-20 -85.93 -14.13 45.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.709 HD11 ' O ' ' A' ' 56' ' ' VAL . 10.9 mt -89.64 110.28 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.463 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 4.6 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.769 0.319 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -67.84 168.5 11.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -116.21 140.92 48.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -75.25 122.32 23.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.03 21.03 47.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.498 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' HB3' HD12 ' A' ' 34' ' ' ILE . 33.2 tt0 -100.77 123.96 45.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 110.942 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.441 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.6 p30 -70.02 136.78 50.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 19' ' ' ASP . 17.4 m -156.93 172.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.0 mt -100.13 112.62 24.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.832 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -99.81 139.43 35.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -88.97 114.0 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -70.19 173.02 7.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -55.88 -33.78 64.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.11 -27.5 67.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.72 -11.94 30.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt -88.14 155.34 19.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.87 0.367 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 21.3 m-85 -94.49 141.68 28.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -131.98 162.13 31.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.483 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.0 tt -80.09 128.36 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.483 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -153.43 167.78 31.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.533 ' N ' HG23 ' A' ' 46' ' ' ILE . 67.6 m -120.56 129.81 53.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 111.099 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 18' ' ' GLN . 92.9 mt -63.38 123.88 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 10.7 mmmm -111.86 -38.29 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 15.4 mtpp -139.54 166.97 23.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.4 mt -140.41 123.44 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -117.5 120.68 38.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 mt -86.45 -35.47 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 mt -59.89 -43.47 94.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -101.09 3.8 41.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 47.67 47.14 18.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.0 p -131.29 176.7 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.561 ' HG ' ' HD1' ' A' ' 58' ' ' TRP . 18.6 m -149.9 129.35 13.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.522 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.79 93.9 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.533 HG23 ' N ' ' A' ' 33' ' ' THR . 22.7 mt -105.58 141.69 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.476 ' O ' HG22 ' A' ' 47' ' ' ILE . 10.1 mt -101.57 109.42 25.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.684 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 66.6 m-85 -72.87 151.63 41.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.88 -21.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 48' ' ' PHE . 15.4 t70 -80.18 14.39 1.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' PHE . 8.0 m 56.21 25.01 8.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.9 m -105.32 126.53 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.522 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.8 mtpt -95.77 129.33 43.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -150.76 136.09 17.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -74.41 101.57 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.832 HG21 ' HB1' ' A' ' 22' ' ' ALA . 15.3 t -87.87 138.5 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.722 HD13 ' HE2' ' A' ' 59' ' ' LYS . 67.2 mt -68.41 141.76 55.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.65 ' HA ' HD12 ' A' ' 61' ' ' ILE . 40.5 m0 -50.39 -21.87 1.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.722 ' HE2' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.97 -28.97 19.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.05 -7.31 58.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.695 HD11 ' O ' ' A' ' 56' ' ' VAL . 12.0 mt -96.0 106.44 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.489 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 13.2 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.0 pttt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.88 0.372 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.437 ' HB3' HD13 ' A' ' 34' ' ' ILE . 67.4 m-85 -62.22 172.16 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -122.31 145.06 48.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -74.72 129.88 38.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.41 29.1 60.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HB3' HD12 ' A' ' 34' ' ' ILE . 35.6 tt0 -103.53 120.73 41.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.54 120.34 15.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.5 m -140.75 178.28 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.0 mt -105.74 112.47 25.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.811 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.67 142.43 32.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HG3' ' CE1' ' A' ' 29' ' ' PHE . 5.6 ttt180 -90.32 112.18 23.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.19 173.55 6.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -57.57 -31.48 66.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.7 -26.13 68.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.6 -13.15 32.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -86.99 156.19 19.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.449 ' CE1' ' HG3' ' A' ' 23' ' ' ARG . 24.4 m-85 -98.3 134.09 41.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.437 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 54.0 m-85 -123.39 162.63 22.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.833 HD23 ' N ' ' A' ' 32' ' ' GLY . 4.6 tt -81.98 131.07 35.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.833 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -155.16 172.08 33.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.465 ' N ' HG23 ' A' ' 46' ' ' ILE . 65.5 m -121.78 130.86 53.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.739 0.304 . . . . 0.0 111.128 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 18' ' ' GLN . 85.8 mt -65.15 133.89 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.561 ' HD2' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -123.19 -35.68 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 24.2 mtmm -144.01 153.95 42.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.6 mt -131.2 113.61 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -103.13 124.43 48.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.4 mt -86.94 -37.26 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 40' ' ' LEU . 3.8 mt -57.52 -49.68 75.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -93.59 -0.11 56.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 51.86 45.33 28.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.4 p -129.68 178.67 6.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.484 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 9.7 m -149.94 129.34 12.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.477 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.98 97.77 4.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 33' ' ' THR . 24.5 mt -109.27 145.98 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.561 HD12 ' HD2' ' A' ' 35' ' ' LYS . 10.2 mt -105.75 113.71 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.737 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 76.6 m-85 -77.78 153.17 33.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -45.71 -21.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 48' ' ' PHE . 10.8 t70 -81.82 16.79 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.5 p 53.44 27.78 6.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.5 m -107.53 125.95 51.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.477 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -95.92 125.95 40.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -145.37 135.21 23.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -75.26 101.91 4.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.811 HG21 ' HB1' ' A' ' 22' ' ' ALA . 6.4 t -87.46 148.33 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 88.8 mt -77.63 140.82 39.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.635 ' HA ' HD12 ' A' ' 61' ' ' ILE . 41.1 m0 -47.67 -28.57 2.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -85.72 -26.67 25.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.06 -12.79 52.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 58' ' ' TRP . 11.3 mt -91.06 110.22 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.93 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.0 pttt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.766 0.317 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -54.19 175.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.448 ' OE1' ' C ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -128.61 152.1 48.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -84.51 122.14 28.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.77 21.11 48.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -100.97 123.48 45.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.772 0.32 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -69.18 129.79 40.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.8 m -149.32 175.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.7 mt -105.38 113.98 27.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.94 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -101.91 145.13 29.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -93.1 113.89 26.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -70.91 172.78 8.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -56.58 -32.77 65.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -60.91 -27.62 68.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.15 -9.53 31.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.5 mt -90.88 156.83 17.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.9 m-85 -96.31 138.46 33.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.45 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 54.5 m-85 -128.86 162.96 26.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.813 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.4 tt -81.2 135.48 35.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.813 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -161.1 168.26 36.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.499 ' C ' HG23 ' A' ' 46' ' ' ILE . 88.9 m -119.65 130.31 55.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.327 . . . . 0.0 111.199 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.59 133.94 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.449 ' HE3' HG22 ' A' ' 33' ' ' THR . 9.4 mmpt? -122.36 -33.06 3.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 15.1 mtmm -144.17 163.37 33.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.2 mt -137.94 112.65 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.407 ' ND2' ' HB2' ' A' ' 41' ' ' LYS . 49.1 t-20 -103.0 121.89 43.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.637 HG23 ' HH2' ' A' ' 58' ' ' TRP . 16.8 mt -87.69 -33.89 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.4 -45.82 91.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.407 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 72.7 mttt -93.17 -7.8 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 59.73 43.37 15.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.5 p -133.61 176.31 8.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.468 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 32.6 m -144.16 131.31 20.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CZ ' ' HD3' ' A' ' 53' ' ' LYS . 1.4 t80 -76.68 96.54 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.499 HG23 ' C ' ' A' ' 33' ' ' THR . 20.0 mt -111.07 142.46 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.56 HG22 ' O ' ' A' ' 47' ' ' ILE . 3.3 mt -104.04 109.82 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.673 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 68.4 m-85 -71.58 153.09 42.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -45.78 -21.47 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 48' ' ' PHE . 40.3 m-20 -81.71 16.06 1.93 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' PHE . 13.7 m 53.33 29.73 9.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -112.44 120.84 43.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.567 ' HD3' ' CZ ' ' A' ' 45' ' ' PHE . 15.0 mttt -86.86 134.63 33.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -153.16 123.95 7.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -67.67 101.85 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.94 HG21 ' HB1' ' A' ' 22' ' ' ALA . 18.1 t -89.26 137.53 21.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.88 141.07 56.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.643 ' HA ' HD12 ' A' ' 61' ' ' ILE . 45.9 m0 -48.74 -31.96 7.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.51 -25.05 38.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -88.59 -13.35 40.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.713 HD11 ' O ' ' A' ' 56' ' ' VAL . 13.8 mt -90.17 111.82 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.48 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.4 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.762 0.315 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -51.4 167.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -124.81 140.55 52.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -73.16 133.78 44.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.25 26.18 74.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.48 ' HB3' HD12 ' A' ' 34' ' ' ILE . 34.1 tt0 -101.37 126.64 48.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.918 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.83 132.41 46.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.3 m -154.4 171.79 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.5 mt -102.15 113.82 27.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.759 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -101.92 144.19 30.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ttm-85 -91.08 111.87 23.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.15 172.26 8.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t -55.77 -29.92 60.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -65.0 -26.21 68.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.64 -14.03 32.48 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.5 mt -85.47 157.04 20.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.406 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.9 m-85 -98.77 133.17 43.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.406 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 53.4 m-85 -122.87 161.32 24.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.773 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.9 tt -80.7 133.53 35.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.773 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -158.45 174.45 35.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.49 ' N ' HG23 ' A' ' 46' ' ' ILE . 94.6 m -124.61 131.14 53.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.753 0.311 . . . . 0.0 111.136 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 18' ' ' GLN . 82.0 mt -63.24 132.24 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.735 ' HD2' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -119.95 -36.18 3.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.41 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 28.0 mtmt -145.39 155.2 43.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.5 mt -132.12 108.73 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -97.11 112.27 24.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.412 HG23 ' HH2' ' A' ' 58' ' ' TRP . 13.4 mt -75.57 -38.02 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.92 -45.24 94.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -90.03 -9.28 49.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 59.47 39.01 22.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.449 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 14.2 p -128.83 -178.37 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.498 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 25.3 m -151.36 127.99 10.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.5 t80 -76.97 95.71 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 33' ' ' THR . 20.2 mt -105.66 147.18 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.735 HD12 ' HD2' ' A' ' 35' ' ' LYS . 11.0 mt -107.06 109.88 29.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.696 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 71.6 m-85 -73.83 152.94 40.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.472 ' HG2' HD22 ' A' ' 31' ' ' LEU . 37.2 mm-40 -45.56 -21.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' PHE . 1.1 m-20 -81.73 16.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' PHE . 8.9 m 53.69 27.87 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.4 m -107.33 126.34 52.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.815 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.6 mtpt -96.25 126.74 41.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -145.85 135.99 23.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -75.13 101.82 4.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.759 HG21 ' HB1' ' A' ' 22' ' ' ALA . 11.0 t -89.74 138.89 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.68 140.8 53.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.582 ' HA ' HD12 ' A' ' 61' ' ' ILE . 41.4 m0 -47.59 -32.11 5.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -25.07 33.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -87.31 -9.88 53.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.617 HD11 ' O ' ' A' ' 56' ' ' VAL . 14.7 mt -94.46 111.19 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.406 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 8.2 tt0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 pttm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.427 ' HB3' HD13 ' A' ' 34' ' ' ILE . 66.4 m-85 -61.63 171.67 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -121.21 146.35 46.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -74.08 132.85 42.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.08 31.41 66.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.556 ' HB3' HD12 ' A' ' 34' ' ' ILE . 34.3 tt0 -105.03 122.87 46.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -69.5 120.45 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.2 m -141.25 173.67 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 mt -103.11 114.49 28.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.805 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -104.85 140.06 38.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -88.73 114.67 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -70.38 171.43 10.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 m -55.31 -29.82 59.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.17 -34.12 75.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.49 -14.37 11.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.6 mt -88.41 156.34 19.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -95.03 138.89 32.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -129.45 158.92 37.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.783 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.7 tt -78.06 134.76 37.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.783 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -159.65 168.9 35.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.458 ' N ' HG23 ' A' ' 46' ' ' ILE . 86.5 m -118.59 131.99 56.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 111.146 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.556 HD12 ' HB3' ' A' ' 18' ' ' GLN . 86.1 mt -65.54 129.22 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.618 ' HD2' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -117.62 -32.89 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.489 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 16.4 mtpp -145.16 156.28 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.6 mt -133.62 106.94 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -100.06 120.59 40.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.596 HG23 ' HH2' ' A' ' 58' ' ' TRP . 17.0 mt -86.69 -34.32 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 mt -61.2 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -96.91 -4.47 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 56.73 43.57 25.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.484 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 16.0 p -131.53 -179.99 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.536 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 18.2 m -152.19 127.91 10.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' CB ' ' HB2' ' A' ' 36' ' ' LYS . 1.6 t80 -76.61 96.0 4.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 33' ' ' THR . 20.9 mt -107.25 146.46 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.618 HD12 ' HD2' ' A' ' 35' ' ' LYS . 9.7 mt -106.85 111.66 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 70.6 m-85 -74.45 153.08 39.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -46.16 -21.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 48' ' ' PHE . 12.6 m-20 -81.06 15.14 1.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.6 m 56.03 26.42 9.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.2 m -105.3 126.46 52.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.475 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -96.7 126.82 42.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -148.36 138.23 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -77.55 102.0 6.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.805 HG21 ' HB1' ' A' ' 22' ' ' ALA . 7.4 t -88.85 136.39 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.95 143.29 55.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.637 ' HA ' HD12 ' A' ' 61' ' ' ILE . 44.8 m0 -50.95 -30.42 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -81.7 -23.97 36.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.925 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -91.27 -8.8 47.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.741 HD11 ' O ' ' A' ' 56' ' ' VAL . 14.5 mt -94.36 111.8 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.807 0.337 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -66.45 171.77 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -132.09 149.82 52.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.79 130.44 35.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.77 29.56 57.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.405 ' HB3' HD12 ' A' ' 34' ' ' ILE . 33.6 tt0 -109.16 124.66 51.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -69.05 136.0 51.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.3 m -156.03 176.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.7 mt -105.53 113.72 27.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.775 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.35 142.85 31.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -91.1 112.32 24.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -70.17 172.26 8.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -52.71 -41.75 64.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -54.48 -24.15 19.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.09 -8.08 41.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.5 mt -88.88 158.15 18.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -98.67 141.59 31.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -132.85 161.55 33.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.666 HD23 ' N ' ' A' ' 32' ' ' GLY . 6.2 tt -78.63 133.7 37.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.666 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -157.77 173.77 35.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.591 HG22 ' HE3' ' A' ' 35' ' ' LYS . 90.7 m -124.32 129.78 51.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.134 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.405 HD12 ' HB3' ' A' ' 18' ' ' GLN . 91.4 mt -66.21 127.69 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.598 ' HD2' HD12 ' A' ' 47' ' ' ILE . 8.9 mmpt? -117.42 -32.45 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 13.6 mtpp -144.97 156.65 44.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mt -134.58 107.52 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -99.36 117.82 34.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.662 HG23 ' HH2' ' A' ' 58' ' ' TRP . 16.9 mt -83.02 -35.3 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.79 -47.35 86.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -93.85 -2.24 53.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 54.93 43.3 30.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.5 p -131.41 178.4 6.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.543 ' HG ' ' HD1' ' A' ' 58' ' ' TRP . 12.6 m -150.48 130.35 13.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.486 ' CB ' ' HB2' ' A' ' 36' ' ' LYS . 1.8 t80 -76.91 98.97 5.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 33' ' ' THR . 28.4 mt -110.22 149.04 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.598 HD12 ' HD2' ' A' ' 35' ' ' LYS . 7.9 mt -110.62 111.2 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.638 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 83.2 m-85 -74.45 151.96 39.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -45.11 -21.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 48' ' ' PHE . 22.2 t70 -80.69 14.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 48' ' ' PHE . 6.9 m 55.95 25.18 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -104.48 126.17 51.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.43 127.16 42.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -148.19 131.99 17.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -72.88 102.36 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.775 HG21 ' HB1' ' A' ' 22' ' ' ALA . 2.9 t -89.94 141.18 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.446 HD13 ' HE2' ' A' ' 59' ' ' LYS . 97.7 mt -71.1 144.83 50.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.662 ' HH2' HG23 ' A' ' 39' ' ' ILE . 44.4 m0 -50.62 -29.17 10.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.446 ' HE2' HD13 ' A' ' 57' ' ' LEU . 15.3 pttt -81.56 -22.84 37.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.622 ' HB2' HG12 ' A' ' 56' ' ' VAL . 96.1 m-20 -90.07 -18.53 25.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.531 HD11 ' O ' ' A' ' 56' ' ' VAL . 16.2 mt -87.3 110.7 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.09 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.942 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.819 0.343 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -55.12 174.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -127.43 138.01 52.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.64 130.25 42.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.28 32.11 56.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.522 ' HB3' HD12 ' A' ' 34' ' ' ILE . 34.3 tt0 -108.92 124.49 50.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.69 134.05 48.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.0 m -155.89 173.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 mt -103.27 115.55 30.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.753 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -103.12 143.14 32.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -90.0 112.24 23.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -70.08 172.62 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -55.02 -33.34 62.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.31 -27.27 68.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.43 -13.14 30.63 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.538 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.0 mt -86.4 157.84 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 110.948 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.1 m-85 -97.94 138.17 35.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.416 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 58.0 m-85 -128.93 159.98 34.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.649 HD23 ' N ' ' A' ' 32' ' ' GLY . 6.7 tt -77.87 133.02 38.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.947 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.649 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -157.44 172.77 34.86 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.497 ' N ' HG23 ' A' ' 46' ' ' ILE . 89.4 m -124.16 131.65 53.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 111.117 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' A' ' 18' ' ' GLN . 74.2 mt -62.42 126.22 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 8.0 mmmt -114.96 -33.03 5.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 14.8 mtpp -146.66 165.16 30.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 57.6 mt -140.82 107.25 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -97.94 111.29 23.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.445 ' HA ' ' CZ2' ' A' ' 58' ' ' TRP . 8.1 mt -73.5 -41.01 56.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 mt -60.87 -47.75 84.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.976 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -85.12 -7.74 58.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 56.72 33.41 22.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.486 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 8.3 p -124.57 -177.33 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.519 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 18.7 m -151.73 128.88 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.4 t80 -76.65 95.77 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 33' ' ' THR . 19.6 mt -105.51 146.12 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.18 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.441 ' O ' HG22 ' A' ' 47' ' ' ILE . 9.1 mt -106.41 112.03 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.692 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 72.9 m-85 -75.92 152.34 37.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.474 ' HG2' HD22 ' A' ' 31' ' ' LEU . 54.6 mm-40 -45.15 -21.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' PHE . 7.8 m-20 -80.74 14.85 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 48' ' ' PHE . 13.4 p 55.77 24.99 7.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.8 m -105.09 126.17 51.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 6.1 mtpt -95.66 128.32 42.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -146.61 136.8 23.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -76.14 102.07 5.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.753 HG21 ' HB1' ' A' ' 22' ' ' ALA . 11.2 t -87.95 147.94 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.497 HD13 ' HE2' ' A' ' 59' ' ' LYS . 81.9 mt -78.28 140.54 38.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.623 ' HA ' HD12 ' A' ' 61' ' ' ILE . 40.3 m0 -48.96 -29.59 4.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.497 ' HE2' HD13 ' A' ' 57' ' ' LEU . 58.9 pttt -86.33 -23.07 26.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.865 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.18 -12.18 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 58' ' ' TRP . 12.9 mt -90.43 108.75 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.456 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.8 tt0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.848 0.356 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -71.52 170.6 13.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -123.25 146.76 47.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -77.83 128.14 33.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.15 29.07 57.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -107.43 124.41 49.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.318 . . . . 0.0 110.918 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.15 132.64 46.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.4 m -152.56 174.76 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.0 mt -103.47 114.46 28.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.727 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -102.4 142.81 33.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.5 ttm-85 -91.05 112.18 23.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -70.19 172.07 8.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -55.33 -32.86 62.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.42 -27.8 68.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.15 -8.64 31.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.1 mt -91.06 156.36 17.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.837 0.351 . . . . 0.0 110.928 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.3 m-85 -96.05 138.59 33.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -129.14 161.63 29.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.751 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.7 tt -80.4 131.24 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.751 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -156.16 168.87 33.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.51 HG22 ' HE3' ' A' ' 35' ' ' LYS . 97.9 m -119.56 130.94 55.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 111.154 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.93 130.99 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.672 ' HD2' HD12 ' A' ' 47' ' ' ILE . 9.1 mmpt? -119.95 -34.89 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.496 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 20.3 mtpt -141.64 156.62 45.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.2 mt -134.45 106.32 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -96.82 124.07 40.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.8 mt -88.7 -33.07 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.47 -45.12 92.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -95.07 -3.94 47.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 55.82 39.59 30.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.44 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 19.3 p -125.93 179.75 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.514 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 13.3 m -150.59 128.6 11.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 53' ' ' LYS . 1.9 t80 -76.69 96.82 4.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 33' ' ' THR . 25.1 mt -109.03 147.82 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.672 HD12 ' HD2' ' A' ' 35' ' ' LYS . 8.5 mt -108.62 111.26 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.676 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 77.8 m-85 -74.51 152.53 39.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HG2' HD22 ' A' ' 31' ' ' LEU . 8.0 mm-40 -45.58 -21.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' PHE . 3.7 m-20 -81.29 15.92 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' PHE . 10.8 p 54.47 28.62 9.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -107.76 126.12 52.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.41 125.91 41.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -147.23 137.36 23.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -76.12 101.59 5.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.731 ' O ' HD11 ' A' ' 61' ' ' ILE . 5.3 t -88.83 135.22 26.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.86 142.04 57.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.599 ' HA ' HD12 ' A' ' 61' ' ' ILE . 44.7 m0 -48.86 -29.83 5.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -81.54 -25.86 35.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.69 -13.19 43.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.731 HD11 ' O ' ' A' ' 56' ' ' VAL . 12.5 mt -91.69 111.53 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.504 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.3 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 pttm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.78 0.324 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -58.82 167.55 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -118.32 146.96 43.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -78.55 125.28 29.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.41 27.13 49.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.53 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.46 ' HB3' HD12 ' A' ' 34' ' ' ILE . 33.0 tt0 -104.51 125.12 50.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.42 134.34 48.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.6 m -155.27 174.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.3 mt -104.18 112.76 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.926 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.3 140.93 33.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -89.66 114.26 25.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -70.08 173.09 6.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 p -55.02 -35.53 64.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.33 -28.83 65.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.67 -10.42 27.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.15 156.8 18.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.81 0.338 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.482 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 24.3 m-85 -95.96 140.55 30.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.843 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.45 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 58.5 m-85 -131.09 161.92 31.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.933 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.2 tt -79.2 129.36 34.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.577 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -155.2 171.07 33.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.468 ' N ' HG23 ' A' ' 46' ' ' ILE . 59.8 m -122.29 132.38 54.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.103 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.46 HD12 ' HB3' ' A' ' 18' ' ' GLN . 92.3 mt -65.22 122.18 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 10.8 mmmm -109.97 -35.07 6.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 31.7 mtpt -142.59 165.93 26.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.2 mt -140.97 115.01 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -109.11 126.44 53.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.8 mt -91.6 -35.02 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.2 mt -59.1 -41.47 88.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -103.32 1.32 32.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 51.33 43.18 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.49 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 14.1 p -127.16 178.77 5.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.551 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 15.2 m -151.77 128.96 11.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.528 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.7 t80 -76.54 95.09 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.468 HG23 ' N ' ' A' ' 33' ' ' THR . 24.0 mt -105.88 146.27 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.467 ' O ' HG22 ' A' ' 47' ' ' ILE . 8.9 mt -106.92 110.66 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.654 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 71.6 m-85 -73.48 154.82 39.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -47.63 -22.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.464 ' OD1' ' CB ' ' A' ' 52' ' ' SER . 28.6 p30 -79.86 12.76 2.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 p 58.17 25.74 12.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.464 ' CB ' ' OD1' ' A' ' 50' ' ' ASP . 5.4 m -105.25 126.42 52.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.528 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -95.76 127.91 42.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -148.99 133.61 17.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -72.72 103.21 3.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.926 HG21 ' HB1' ' A' ' 22' ' ' ALA . 16.5 t -89.3 145.16 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.582 HD13 ' HE2' ' A' ' 59' ' ' LYS . 75.3 mt -75.23 141.62 43.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.551 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 44.0 m0 -50.01 -32.68 15.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.582 ' HE2' HD13 ' A' ' 57' ' ' LEU . 38.8 pttt -81.63 -20.32 39.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.26 -15.02 26.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.585 HG13 HG12 ' A' ' 56' ' ' VAL . 16.3 mt -88.79 107.81 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.482 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 8.4 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -71.16 -56.64 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.362 . . . . 0.0 110.833 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m -71.14 104.88 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.01 -177.59 32.75 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.46 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -101.81 131.34 48.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.3 p -114.33 118.64 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.96 170.27 29.8 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.515 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -174.47 143.28 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.361 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -97.66 147.8 33.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 0.0 110.915 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 166.68 26.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.26 . . . . 0.0 112.351 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.65 156.9 16.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.868 ' HB2' HG21 ' A' ' 37' ' ' ILE . 25.0 p -77.36 74.63 3.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -42.38 -34.33 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -53.1 174.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' OE1' ' C ' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -132.42 147.49 52.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -82.52 121.18 26.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.34 16.88 48.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.535 ' HB3' HD12 ' A' ' 34' ' ' ILE . 33.6 tt0 -96.52 123.59 40.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.26 121.7 19.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.0 m -141.26 173.95 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.0 mt -103.25 113.66 27.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.769 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -101.92 144.16 30.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -90.96 113.61 25.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -70.21 172.1 8.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -56.48 -30.52 63.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -61.65 -34.48 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.36 -13.0 12.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.53 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.0 mt -89.35 156.32 18.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.847 0.356 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 25.0 m-85 -95.01 138.21 33.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -128.98 160.47 32.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.823 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.5 tt -79.01 135.64 36.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.823 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -160.21 165.89 35.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.485 ' N ' HG23 ' A' ' 46' ' ' ILE . 91.1 m -116.02 130.83 56.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.689 0.281 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 18' ' ' GLN . 80.0 mt -63.77 128.05 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.134 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.929 ' HD2' HD12 ' A' ' 47' ' ' ILE . 8.6 mmpt? -116.16 -37.45 3.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 20.7 mtmt -143.08 160.15 40.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.868 HG21 ' HB2' ' A' ' 12' ' ' CYS . 40.2 mt -137.46 108.44 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -99.57 117.18 33.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.463 HG23 ' CH2' ' A' ' 58' ' ' TRP . 15.1 mt -81.67 -35.18 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.21 -43.72 95.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -97.71 -4.55 37.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 56.84 43.43 24.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.463 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 14.1 p -129.5 179.16 5.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.548 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 25.5 m -151.52 128.03 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.81 97.18 4.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.485 HG23 ' N ' ' A' ' 33' ' ' THR . 21.5 mt -107.82 145.18 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.929 HD12 ' HD2' ' A' ' 35' ' ' LYS . 9.9 mt -105.93 111.66 35.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 75.0 m-85 -74.92 152.85 38.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -45.68 -21.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' PHE . 55.9 m-20 -81.11 14.99 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' PHE . 14.0 m 55.74 25.71 8.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.4 m -105.3 126.56 52.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.472 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.8 mtpt -96.09 127.44 42.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -146.92 132.89 19.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -73.81 102.01 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.769 HG21 ' HB1' ' A' ' 22' ' ' ALA . 11.2 t -88.69 144.85 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.5 141.33 41.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 44.2 m0 -48.77 -30.35 5.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 pttm -82.88 -24.38 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -89.83 -12.7 38.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.575 HG13 HG12 ' A' ' 56' ' ' VAL . 14.6 mt -91.43 109.75 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.453 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.7 tt0 -86.01 124.17 32.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.0 p -88.85 110.71 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.71 -75.12 1.29 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -38.9 112.92 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.0 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 t -87.55 150.03 23.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.374 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -109.21 168.86 9.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.61 -171.75 29.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.524 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -155.08 154.63 32.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.842 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 p -135.3 162.6 32.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.98 -85.61 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.15 131.6 50.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.848 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -39.48 143.17 0.55 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 126.89 13.82 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -111.81 162.17 15.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' HB2' HG21 ' A' ' 37' ' ' ILE . 26.0 p -71.04 170.2 13.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 14' ' ' PHE . 21.7 pttp -134.21 -40.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.428 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 67.4 m-85 -48.58 172.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -125.86 142.95 51.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -73.08 129.87 39.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.32 27.53 55.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HB3' HD12 ' A' ' 34' ' ' ILE . 34.3 tt0 -102.47 121.55 42.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.02 116.67 12.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -136.88 179.7 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.9 mt -109.46 112.46 24.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.683 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.56 144.13 29.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -91.17 112.87 24.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.32 171.91 9.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t -55.36 -30.91 61.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.12 -27.28 69.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.44 -13.91 30.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.8 mt -86.68 155.71 20.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.5 m-85 -95.76 138.48 33.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -129.53 159.21 37.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.761 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.3 tt -77.86 133.49 38.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.761 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -157.82 164.83 33.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.467 ' N ' HG23 ' A' ' 46' ' ' ILE . 61.3 m -115.97 130.4 56.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.32 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.521 HD12 ' HB3' ' A' ' 18' ' ' GLN . 80.5 mt -64.79 134.58 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.663 ' HD2' HD12 ' A' ' 47' ' ' ILE . 7.2 mmpt? -124.02 -30.8 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -149.27 153.04 36.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.444 HG21 ' HB2' ' A' ' 12' ' ' CYS . 32.7 mt -130.11 116.79 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -109.32 124.15 50.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.577 HG23 ' CH2' ' A' ' 58' ' ' TRP . 12.0 mt -89.02 -37.33 9.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.9 mt -55.03 -41.78 71.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -102.75 -4.4 25.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 57.45 47.0 17.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.497 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 12.4 p -132.84 179.07 6.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.507 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 15.4 m -151.87 129.43 11.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.5 t80 -76.61 96.51 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 33' ' ' THR . 35.0 mt -107.29 146.15 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.663 HD12 ' HD2' ' A' ' 35' ' ' LYS . 9.1 mt -105.39 110.26 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.618 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 84.7 m-85 -73.97 152.92 39.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -45.07 -21.8 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 48' ' ' PHE . 1.7 m-20 -81.52 15.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' PHE . 10.7 m 54.56 25.05 5.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 m -104.53 127.03 52.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.7 mtpt -96.21 127.87 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -148.59 131.79 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -71.9 102.24 2.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.683 HG21 ' HB1' ' A' ' 22' ' ' ALA . 3.4 t -91.17 137.68 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.83 143.78 56.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.577 ' CH2' HG23 ' A' ' 39' ' ' ILE . 45.0 m0 -49.58 -32.31 12.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.84 -26.58 44.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' HB2' HG12 ' A' ' 56' ' ' VAL . 51.2 m-20 -85.4 -18.03 34.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.677 HD11 ' O ' ' A' ' 56' ' ' VAL . 15.3 mt -88.15 106.75 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 6.8 tt0 -87.25 126.74 35.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.9 p -86.03 95.31 9.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 168.69 -163.94 37.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.4 170.32 22.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 48.6 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -147.76 144.85 28.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -115.56 160.67 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.63 -166.13 43.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 62.43 31.15 17.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.362 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t 58.91 51.85 6.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.56 -107.73 1.36 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.448 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -143.62 145.87 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -150.14 158.4 36.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.595 0.712 . . . . 0.0 110.86 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.519 ' HB2' HD12 ' A' ' 39' ' ' ILE . 53.8 Cg_endo -69.72 142.13 47.28 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.26 . . . . 0.0 112.375 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.02 152.76 43.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.658 ' HB2' HG21 ' A' ' 37' ' ' ILE . 23.6 p -114.0 152.8 30.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -94.28 -39.31 10.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.411 ' HB3' HD13 ' A' ' 34' ' ' ILE . 63.9 m-85 -58.95 167.47 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -119.33 141.39 49.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -71.94 130.53 41.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.94 32.55 56.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HB3' HD12 ' A' ' 34' ' ' ILE . 35.3 tt0 -107.75 123.31 48.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.736 0.303 . . . . 0.0 110.966 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.16 118.93 12.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.83 169.19 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.8 mt -98.55 112.11 24.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.816 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -101.58 140.05 36.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.458 ' NE ' ' O ' ' A' ' 27' ' ' GLY . 9.9 ttt180 -89.06 114.14 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -70.57 172.78 7.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.2 m -55.98 -32.63 64.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.58 -34.3 72.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.458 ' O ' ' NE ' ' A' ' 23' ' ' ARG . . . 118.05 -12.87 12.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.4 mt -88.56 155.47 19.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -96.13 135.17 38.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -125.95 162.11 25.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.764 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.7 tt -79.5 134.05 36.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.764 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -158.09 169.86 34.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.481 ' N ' HG23 ' A' ' 46' ' ' ILE . 72.1 m -120.13 131.84 55.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.754 0.312 . . . . 0.0 111.121 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.471 HD12 ' HB3' ' A' ' 18' ' ' GLN . 73.0 mt -64.63 128.44 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.08 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 7.9 mmmt -116.83 -35.98 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -145.26 155.28 43.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.658 HG21 ' HB2' ' A' ' 12' ' ' CYS . 45.6 mt -131.75 115.46 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -105.9 126.68 52.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.519 HD12 ' HB2' ' A' ' 10' ' ' PRO . 23.4 mt -90.37 -36.45 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mt -60.23 -43.61 95.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -96.94 -4.76 39.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 56.22 41.56 29.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.4 p -128.81 179.63 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.537 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 17.7 m -151.83 128.45 10.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.9 t80 -76.68 97.5 4.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.481 HG23 ' N ' ' A' ' 33' ' ' THR . 19.7 mt -107.71 147.61 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mt -106.42 113.14 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.707 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 66.2 m-85 -77.29 153.09 34.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.55 -21.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' PHE . 14.7 t0 -81.73 16.98 1.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' PHE . 79.9 p 53.42 26.19 5.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.2 m -105.55 125.63 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 6.0 mtpt -95.78 126.73 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -146.68 136.63 23.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -75.17 102.05 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.816 HG21 ' HB1' ' A' ' 22' ' ' ALA . 5.9 t -89.53 139.83 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.4 HD13 ' HE2' ' A' ' 59' ' ' LYS . 89.2 mt -70.39 144.68 51.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.555 ' HA ' HD12 ' A' ' 61' ' ' ILE . 42.4 m0 -51.68 -27.43 11.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' HE2' HD13 ' A' ' 57' ' ' LEU . 49.5 pttt -84.96 -25.88 27.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -87.34 -12.46 46.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.627 HD11 ' O ' ' A' ' 56' ' ' VAL . 13.2 mt -92.02 109.98 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -81.87 139.59 34.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.0 p -110.52 95.39 5.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.4 78.66 0.33 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.443 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.49 168.41 14.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -179.901 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -80.44 130.24 35.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -123.53 99.4 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.29 158.35 31.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -52.4 108.25 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.895 0.378 . . . . 0.0 110.867 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -101.52 149.76 23.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.63 -71.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.523 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.12 132.5 55.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -38.63 143.07 0.47 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.514 0.673 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 177.27 5.75 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -110.64 153.28 25.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.0 p -98.93 162.95 12.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -91.39 -39.76 11.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -69.18 172.2 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 16' ' ' GLU . 19.9 tt0 -126.85 146.25 50.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' HG2' ' A' ' 15' ' ' GLU . 27.1 mt-10 -75.98 131.67 39.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.839 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.71 27.46 60.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.532 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.474 ' HB3' HD12 ' A' ' 34' ' ' ILE . 26.2 tt0 -102.77 120.22 40.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.896 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 118.57 12.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.412 HG13 ' HG2' ' A' ' 18' ' ' GLN . 16.4 m -139.13 175.41 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.6 mt -104.24 113.62 27.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.833 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -102.14 139.97 37.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -88.18 113.57 23.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -70.09 172.48 7.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -58.41 -28.01 64.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -31.27 72.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.828 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.82 -13.01 17.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.524 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 mt -90.63 155.35 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.482 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 20.6 m-85 -94.07 140.04 30.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.426 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 58.7 m-85 -130.43 157.71 41.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.849 HD23 ' N ' ' A' ' 32' ' ' GLY . 4.5 tt -78.11 132.31 37.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.849 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -156.53 166.29 33.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.523 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.47 ' N ' HG23 ' A' ' 46' ' ' ILE . 89.5 m -115.37 131.08 57.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.743 0.306 . . . . 0.0 111.165 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 18' ' ' GLN . 76.7 mt -64.57 128.67 27.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.857 ' HD2' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -116.78 -37.64 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 17.3 mtmm -143.94 152.5 41.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.6 mt -129.3 115.95 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -108.11 122.85 47.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.6 mt -86.77 -37.56 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.36 -44.77 76.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -99.89 -1.0 38.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 53.94 44.29 29.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.7 p -128.37 178.96 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.544 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 10.8 m -152.43 127.73 9.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.6 t80 -76.67 95.64 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 33' ' ' THR . 22.9 mt -106.63 145.74 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.857 HD12 ' HD2' ' A' ' 35' ' ' LYS . 11.4 mt -104.63 110.07 29.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.681 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 71.0 m-85 -73.29 153.19 40.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -45.85 -21.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 48' ' ' PHE . 2.0 m-20 -81.71 16.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 48' ' ' PHE . 8.6 m 54.33 26.34 6.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.5 m -106.51 127.12 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.6 mtpt -96.03 128.75 43.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -149.33 133.51 17.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -72.73 101.82 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.833 HG21 ' HB1' ' A' ' 22' ' ' ALA . 9.0 t -89.2 140.28 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.9 mt -71.43 141.27 50.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.684 ' HA ' HD12 ' A' ' 61' ' ' ILE . 42.7 m0 -48.75 -31.78 7.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -80.59 -23.94 39.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -90.25 -13.08 36.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 58' ' ' TRP . 12.6 mt -90.23 107.04 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.482 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 12.1 tt0 -84.76 138.02 32.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' GLY . 77.6 p -110.2 95.02 5.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' THR . . . 34.45 63.51 0.45 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.468 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -118.25 135.84 54.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t -52.31 150.73 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.362 . . . . 0.0 110.91 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 m -47.69 168.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.39 -138.58 9.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -55.54 92.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -79.65 157.79 27.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.67 -120.27 0.77 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -73.91 155.05 39.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -96.5 158.18 34.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.569 0.7 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -172.78 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.258 . . . . 0.0 112.359 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.94 170.6 7.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.464 ' HB2' HG21 ' A' ' 37' ' ' ILE . 28.0 p -80.24 171.04 15.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' HE2' ' CE1' ' A' ' 14' ' ' PHE . 14.4 pttm -122.99 -38.6 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.439 ' CE1' ' HE2' ' A' ' 13' ' ' LYS . 65.0 m-85 -57.99 173.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -121.31 149.49 42.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -78.97 125.74 29.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.13 27.18 45.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.498 ' HB3' HD12 ' A' ' 34' ' ' ILE . 35.2 tt0 -105.01 123.8 48.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -70.71 131.62 44.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -151.58 172.76 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.6 mt -101.99 111.97 24.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.738 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.38 140.04 35.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.072 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.457 ' HG3' ' CE1' ' A' ' 29' ' ' PHE . 13.5 ttp180 -88.95 113.83 24.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -70.27 172.15 8.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -56.0 -32.23 63.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.03 -27.92 68.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.9 -13.75 26.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.7 mt -87.29 156.75 19.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.457 ' CE1' ' HG3' ' A' ' 23' ' ' ARG . 22.7 m-85 -98.03 137.08 37.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -127.24 162.79 25.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.832 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.7 tt -80.09 135.4 36.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.832 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -159.87 169.76 35.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.495 ' N ' HG23 ' A' ' 46' ' ' ILE . 51.7 m -120.82 129.96 53.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.743 0.306 . . . . 0.0 111.172 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.498 HD12 ' HB3' ' A' ' 18' ' ' GLN . 87.2 mt -63.7 125.88 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.666 ' HD2' HD12 ' A' ' 47' ' ' ILE . 7.5 mmpt? -113.55 -38.79 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 34.7 mtmt -142.81 163.38 32.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.464 HG21 ' HB2' ' A' ' 12' ' ' CYS . 19.4 mt -139.44 113.06 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -103.15 110.16 22.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.416 HG23 ' HH2' ' A' ' 58' ' ' TRP . 13.4 mt -72.28 -39.92 64.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mt -58.88 -44.73 91.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -92.87 -3.74 54.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 53.49 41.48 32.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.1 p -131.62 177.59 7.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.561 ' HG ' ' HD1' ' A' ' 58' ' ' TRP . 15.2 m -147.38 130.15 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.44 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.6 t80 -76.66 95.71 4.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.495 HG23 ' N ' ' A' ' 33' ' ' THR . 25.6 mt -106.48 147.08 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.186 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.666 HD12 ' HD2' ' A' ' 35' ' ' LYS . 6.2 mt -107.52 108.27 24.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 88.5 m-85 -71.3 151.9 43.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -44.88 -22.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' PHE . 4.6 m-20 -81.04 15.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' PHE . 19.1 p 55.84 25.04 8.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.1 m -104.0 126.54 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.44 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.29 128.61 43.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -149.59 136.14 19.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -75.71 101.48 5.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.738 HG21 ' HB1' ' A' ' 22' ' ' ALA . 3.2 t -88.79 139.27 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.893 HD13 ' HE2' ' A' ' 59' ' ' LYS . 76.3 mt -67.44 143.01 56.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.561 ' HD1' ' HG ' ' A' ' 44' ' ' CYS . 37.1 m0 -50.46 -30.07 11.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.893 ' HE2' HD13 ' A' ' 57' ' ' LEU . 22.8 pttt -82.35 -22.91 35.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.492 ' HB2' HG12 ' A' ' 56' ' ' VAL . 3.1 m-20 -88.34 -18.6 28.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.517 HD11 ' O ' ' A' ' 56' ' ' VAL . 21.7 mt -86.05 108.84 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -90.92 119.63 31.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.6 p -73.2 -35.13 66.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 137.97 114.58 1.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.22 99.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 0.0 111.082 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.4 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -86.99 97.82 10.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.893 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 p -85.22 150.63 24.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.92 53.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.457 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -90.44 170.04 10.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -53.15 136.87 35.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.62 76.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.442 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -43.44 124.77 3.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -146.08 144.85 22.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 0.0 110.862 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -178.04 2.16 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.351 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -119.58 -23.37 6.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.2 p -149.8 168.74 22.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HE2' ' CE2' ' A' ' 14' ' ' PHE . 19.7 pttm -111.25 -31.61 7.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.418 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 66.7 m-85 -71.32 171.01 11.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -127.78 145.92 50.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -76.51 130.05 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.97 29.11 55.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.527 ' HB3' HD12 ' A' ' 34' ' ' ILE . 27.6 tt0 -106.07 119.37 39.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -69.21 120.73 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.3 m -138.82 178.77 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.5 mt -107.64 112.11 24.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.827 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.85 143.93 30.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -91.4 112.7 24.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -70.18 173.73 6.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 p -57.97 -31.18 66.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -62.26 -26.48 68.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.24 -10.03 33.52 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 mt -90.6 157.04 17.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.421 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 25.7 m-85 -98.01 135.54 39.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.422 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 56.4 m-85 -125.61 162.45 24.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.6 tt -81.26 133.21 35.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.721 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -156.95 170.38 34.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.442 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.459 ' C ' HG23 ' A' ' 46' ' ' ILE . 97.0 m -119.98 132.16 55.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.7 0.286 . . . . 0.0 111.137 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.527 HD12 ' HB3' ' A' ' 18' ' ' GLN . 77.3 mt -64.56 126.35 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.945 ' HD2' HD12 ' A' ' 47' ' ' ILE . 8.1 mmpt? -113.89 -36.94 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 35.9 mtmt -144.88 161.36 39.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.5 mt -136.13 108.8 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -99.9 120.07 39.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.524 HG23 ' CH2' ' A' ' 58' ' ' TRP . 13.4 mt -84.59 -37.4 12.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.91 -49.79 74.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -91.98 -4.31 54.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 57.02 45.15 21.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.6 p -132.73 177.83 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 19.7 m -148.12 130.25 15.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.4 t80 -77.61 95.21 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.459 HG23 ' C ' ' A' ' 33' ' ' THR . 20.1 mt -106.4 146.11 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.945 HD12 ' HD2' ' A' ' 35' ' ' LYS . 9.9 mt -106.54 110.11 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.688 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 81.8 m-85 -72.45 158.7 35.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -50.27 -23.55 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.2 p30 -78.95 11.14 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.1 p 59.37 27.12 16.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.3 m -106.74 127.95 53.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.483 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 6.1 mtpt -96.06 127.29 41.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -147.19 130.07 16.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -71.04 101.51 2.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.827 HG21 ' HB1' ' A' ' 22' ' ' ALA . 11.0 t -88.78 138.01 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.562 HD13 ' HE3' ' A' ' 59' ' ' LYS . 88.3 mt -67.13 142.61 57.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.625 ' HA ' HD12 ' A' ' 61' ' ' ILE . 38.1 m0 -49.95 -21.99 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HE3' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -90.01 -29.51 18.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -82.09 -13.35 57.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.625 HD12 ' HA ' ' A' ' 58' ' ' TRP . 11.2 mt -89.95 111.44 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.421 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 6.0 tt0 -91.17 135.95 33.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.9 p -113.95 95.78 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.82 -177.95 20.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.475 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.44 97.95 11.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.912 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -94.95 -46.63 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -91.86 97.85 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.23 137.72 10.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.3 p -166.79 165.55 16.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 110.901 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 t -106.42 158.35 16.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.44 85.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -73.3 147.37 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 11.0 tttp -165.47 142.85 4.79 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.544 0.688 . . . . 0.0 110.889 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 54.2 Cg_endo -69.7 142.64 48.78 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.254 . . . . 0.0 112.379 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.745 ' HB1' ' CD1' ' A' ' 39' ' ' ILE . . . -75.55 -22.79 56.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.4 p -162.58 164.11 26.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.83 -29.53 2.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -54.51 170.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -127.95 146.15 50.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -78.22 129.28 34.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.08 23.8 60.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HB3' HD12 ' A' ' 34' ' ' ILE . 29.3 tt0 -98.98 123.52 43.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -72.07 121.82 19.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.436 HG13 ' HG2' ' A' ' 18' ' ' GLN . 15.5 m -142.31 -178.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.2 mt -110.1 112.57 24.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.837 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.81 140.12 35.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -88.36 113.57 24.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -70.34 172.33 8.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.2 m -55.61 -35.27 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -29.99 64.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.51 -12.46 23.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 mt -89.34 157.27 18.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.817 0.341 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 22.4 m-85 -94.96 143.24 26.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -133.45 160.72 36.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.622 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.5 tt -79.43 130.38 35.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.622 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -155.85 165.16 32.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.534 ' N ' HG23 ' A' ' 46' ' ' ILE . 99.6 m -117.07 129.88 56.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.334 . . . . 0.0 111.12 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.521 HD12 ' HB3' ' A' ' 18' ' ' GLN . 97.5 mt -62.28 131.49 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.749 ' HD2' HD12 ' A' ' 47' ' ' ILE . 6.0 mmpt? -120.73 -32.6 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 23.2 mtmm -146.81 158.91 44.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.6 mt -134.33 114.42 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 40' ' ' LEU . 43.6 t-20 -105.95 125.58 51.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.745 ' CD1' ' HB1' ' A' ' 11' ' ' ALA . 21.4 mt -90.4 -33.66 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.408 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 7.0 mt -60.9 -42.41 97.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -101.9 0.95 36.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 51.35 45.08 28.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.6 p -130.25 176.54 8.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.523 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 26.3 m -148.08 128.99 14.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.479 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.7 t80 -76.64 96.43 4.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.534 HG23 ' N ' ' A' ' 33' ' ' THR . 18.0 mt -107.88 140.93 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.749 HD12 ' HD2' ' A' ' 35' ' ' LYS . 10.9 mt -101.03 110.05 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.682 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 61.8 m-85 -73.01 152.37 41.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.52 -21.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -80.85 15.37 1.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 48' ' ' PHE . 6.2 m 56.05 25.08 8.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.5 m -103.85 126.26 50.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.479 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.6 mtpt -96.62 127.73 42.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -149.47 137.34 20.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -76.71 102.1 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.837 HG21 ' HB1' ' A' ' 22' ' ' ALA . 15.5 t -88.23 140.55 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.0 mt -72.31 142.02 48.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.562 ' HA ' HD12 ' A' ' 61' ' ' ILE . 44.9 m0 -49.38 -30.02 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.939 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -83.03 -25.4 32.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -88.16 -12.74 43.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.655 HG13 HG12 ' A' ' 56' ' ' VAL . 13.9 mt -91.53 109.11 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.479 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 12.4 tt0 -83.63 131.69 34.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 56.4 p -100.0 96.49 7.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.04 125.3 32.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.98 130.78 53.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.865 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -103.54 106.5 17.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.6 p -166.38 123.66 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.45 128.29 15.39 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -160.78 125.94 3.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -46.89 -44.73 19.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.34 110.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -71.58 165.65 23.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -140.91 143.86 33.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.69 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.04 19.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.243 . . . . 0.0 112.37 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.92 137.48 34.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.654 ' HB2' HG21 ' A' ' 37' ' ' ILE . 30.1 p -41.01 145.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -95.94 -40.24 9.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -56.91 173.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -125.68 148.9 48.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -77.32 130.91 37.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 73.55 31.88 60.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.53 ' HB3' HD12 ' A' ' 34' ' ' ILE . 34.3 tt0 -106.42 123.21 47.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.56 122.6 19.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.86 170.8 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.8 mt -98.82 112.5 24.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.874 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -101.62 140.58 35.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -89.2 113.62 24.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -70.16 173.24 6.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m -57.59 -28.76 63.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -63.3 -32.21 73.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.09 -13.44 16.69 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.6 mt -89.09 156.14 19.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 22.3 m-85 -94.71 139.43 31.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -130.69 159.15 38.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.8 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.8 tt -77.53 134.29 38.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.8 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -158.9 171.48 35.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.458 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.467 ' N ' HG23 ' A' ' 46' ' ' ILE . 97.1 m -122.28 129.52 52.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 111.122 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.53 HD12 ' HB3' ' A' ' 18' ' ' GLN . 90.7 mt -62.85 129.57 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.708 ' HD2' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -117.5 -35.21 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.821 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 28.9 mtmt -145.52 154.54 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.654 HG21 ' HB2' ' A' ' 12' ' ' CYS . 62.1 mt -131.19 111.01 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -102.38 117.96 35.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.5 mt -81.73 -37.28 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.162 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mt -57.86 -49.72 75.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -91.84 -2.68 56.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 54.57 44.06 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.486 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 16.0 p -130.68 179.06 6.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.509 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 9.6 m -151.36 128.23 10.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.7 t80 -76.66 95.98 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 33' ' ' THR . 21.0 mt -106.06 147.39 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.708 HD12 ' HD2' ' A' ' 35' ' ' LYS . 9.9 mt -107.56 111.94 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.615 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 74.9 m-85 -75.04 154.58 37.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -47.19 -20.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.13 16.1 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.7 m 55.21 25.49 7.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.3 m -104.24 126.39 51.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -96.59 126.86 42.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -147.16 138.67 24.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -78.93 101.86 7.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.874 HG21 ' HB1' ' A' ' 22' ' ' ALA . 4.9 t -89.05 140.54 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.13 143.63 52.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.611 ' HA ' HD12 ' A' ' 61' ' ' ILE . 40.7 m0 -50.55 -26.48 5.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -86.37 -23.48 26.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.93 -12.56 41.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 58' ' ' TRP . 10.7 mt -91.72 110.27 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.483 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 6.3 tt0 -83.75 135.85 34.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.0 p -107.27 96.07 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.51 -175.95 37.18 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 66' ' ' THR . . . -156.79 159.61 38.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 65' ' ' ALA . 15.0 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -100.1 175.98 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -76.59 -50.44 13.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.12 154.94 31.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 6' ' ' SER . 88.8 p -132.46 145.24 51.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.866 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 5' ' ' SER . 35.7 t -36.77 125.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.48 123.67 4.82 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.7 161.84 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.53 ' O ' HD13 ' A' ' 39' ' ' ILE . 2.1 ptmm? -143.48 131.54 11.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.55 0.691 . . . . 0.0 110.901 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.482 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.82 -173.21 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.647 2.231 . . . . 0.0 112.372 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 10' ' ' PRO . . . 71.23 44.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.056 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.466 ' HB2' HG21 ' A' ' 37' ' ' ILE . 29.5 p -36.71 146.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.0 pttt -81.32 -39.69 24.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -63.9 172.35 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -128.17 147.14 50.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -77.14 131.48 38.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.46 26.84 62.54 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.58 ' HB3' HD12 ' A' ' 34' ' ' ILE . 33.7 tt0 -102.2 122.22 43.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -69.16 125.05 25.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.5 m -148.45 173.93 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.2 mt -103.56 117.79 35.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.823 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -105.26 145.7 30.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -92.23 112.71 24.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -70.22 172.43 8.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.7 m -57.3 -27.93 62.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -64.9 -30.56 71.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.08 -13.34 21.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.435 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.5 mt -89.1 156.28 18.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.532 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 27.0 m-85 -95.02 138.09 33.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.459 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 57.1 m-85 -128.04 158.29 38.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.967 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.835 HD23 ' N ' ' A' ' 32' ' ' GLY . 4.9 tt -77.68 132.1 38.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.835 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -158.03 172.91 35.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.463 ' N ' HG23 ' A' ' 46' ' ' ILE . 97.8 m -123.14 132.78 54.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.733 0.301 . . . . 0.0 111.161 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.58 HD12 ' HB3' ' A' ' 18' ' ' GLN . 79.5 mt -63.4 133.73 28.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.911 ' HD2' HD12 ' A' ' 47' ' ' ILE . 6.9 mmpt? -122.24 -33.85 3.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 19.8 mtmm -147.52 155.9 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.466 HG21 ' HB2' ' A' ' 12' ' ' CYS . 49.9 mt -132.6 107.79 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -99.19 119.17 37.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.53 HD13 ' O ' ' A' ' 9' ' ' LYS . 14.8 mt -83.11 -37.31 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mt -56.81 -47.61 79.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -94.49 -3.79 49.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 56.17 44.47 25.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.464 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 14.0 p -131.01 179.82 5.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.511 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 13.2 m -151.06 129.63 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.493 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.4 t80 -78.15 97.3 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 33' ' ' THR . 20.1 mt -107.31 144.41 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.911 HD12 ' HD2' ' A' ' 35' ' ' LYS . 12.1 mt -104.8 110.01 29.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.727 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 66.3 m-85 -73.07 152.96 41.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -45.7 -21.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -81.81 16.49 1.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' PHE . 6.3 m 54.38 25.0 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 m -104.52 126.68 51.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.493 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.11 128.72 43.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -148.04 129.96 15.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.803 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -70.85 101.97 2.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.823 HG21 ' HB1' ' A' ' 22' ' ' ALA . 6.3 t -89.49 143.19 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -74.25 143.42 45.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.599 ' HA ' HD12 ' A' ' 61' ' ' ILE . 43.6 m0 -50.1 -31.47 13.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -83.79 -20.02 34.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -93.29 -9.55 38.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 58' ' ' TRP . 13.7 mt -94.16 109.27 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.532 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.9 tt0 -85.04 140.96 30.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 75.6 p -117.72 96.43 5.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.99 -90.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.13 108.38 9.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 111.128 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.7 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.895 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.2 p -101.54 119.33 38.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -91.85 170.3 9.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.39 137.04 24.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -87.51 98.43 11.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.81 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 t -109.98 84.29 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.96 -95.85 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -53.94 134.17 43.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.349 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.473 ' CD ' ' HD2' ' A' ' 10' ' ' PRO . 4.0 tppp? -125.77 137.18 29.51 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.926 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.473 ' HD2' ' CD ' ' A' ' 9' ' ' LYS . 53.3 Cg_endo -69.78 132.29 22.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.301 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.95 163.42 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.46 ' HB2' HG21 ' A' ' 37' ' ' ILE . 30.4 p -70.26 160.94 31.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -102.16 -36.81 8.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.463 ' HB3' HD13 ' A' ' 34' ' ' ILE . 64.9 m-85 -65.99 173.67 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -123.44 143.67 50.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.7 130.62 40.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.81 27.89 59.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.504 ' HB3' HD12 ' A' ' 34' ' ' ILE . 35.4 tt0 -104.93 121.62 44.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.325 . . . . 0.0 110.931 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.27 126.82 30.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.0 m -147.48 170.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 mt -99.99 112.72 25.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.864 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.87 143.57 30.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -91.05 113.67 26.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.16 172.1 8.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 m -56.42 -30.36 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -61.72 -33.83 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.91 -13.42 12.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.1 mt -89.0 157.79 18.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 110.949 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 25.2 m-85 -96.45 138.7 33.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -129.4 159.86 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.836 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.3 tt -77.57 135.0 38.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.836 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -160.36 171.04 36.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.468 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.437 ' N ' HG23 ' A' ' 46' ' ' ILE . 50.4 m -121.04 132.48 54.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 111.17 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.504 HD12 ' HB3' ' A' ' 18' ' ' GLN . 77.8 mt -63.91 121.39 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 9.9 mmmt -108.32 -40.0 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 18.3 mtmm -142.85 162.12 36.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.46 HG21 ' HB2' ' A' ' 12' ' ' CYS . 52.8 mt -139.08 109.94 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 41' ' ' LYS . 62.5 t-20 -100.45 110.85 23.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.603 HG23 ' HH2' ' A' ' 58' ' ' TRP . 13.6 mt -73.65 -39.8 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mt -59.13 -46.56 88.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 4.1 mmpt? -88.85 -7.92 55.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 58.63 38.91 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.538 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 14.6 p -129.53 -177.76 4.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.538 ' HG ' ' C ' ' A' ' 43' ' ' SER . 10.4 m -153.62 127.74 9.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.7 t80 -76.47 96.9 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 33' ' ' THR . 25.1 mt -105.93 145.44 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.442 ' O ' HG22 ' A' ' 47' ' ' ILE . 11.1 mt -105.85 111.2 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.598 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 72.5 m-85 -74.81 153.28 38.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -45.8 -21.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' PHE . 30.6 t70 -81.65 16.5 1.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' PHE . 9.5 m 54.57 25.02 5.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.5 m -103.64 126.39 50.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.7 mtpt -96.84 126.9 42.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -145.9 140.61 27.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -81.13 101.93 9.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.864 HG21 ' HB1' ' A' ' 22' ' ' ALA . 4.1 t -89.75 143.87 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.172 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.402 HD13 ' HE3' ' A' ' 59' ' ' LYS . 77.0 mt -73.79 142.7 46.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.603 ' HH2' HG23 ' A' ' 39' ' ' ILE . 42.2 m0 -49.92 -26.56 4.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.402 ' HE3' HD13 ' A' ' 57' ' ' LEU . 14.5 pttp -85.75 -25.01 26.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.916 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -87.28 -15.2 38.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 58' ' ' TRP . 13.5 mt -87.82 112.17 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.465 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 11.1 tt0 -86.99 138.02 31.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.1 p -113.96 96.04 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.87 -93.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.488 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -129.82 172.11 12.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.0 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.178 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -98.81 154.96 17.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m -58.54 106.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.4 151.33 32.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.538 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -120.72 100.97 7.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -53.16 123.16 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.09 45.65 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.473 ' HE2' ' N ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -40.71 105.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -49.25 157.77 0.82 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 110.924 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 133.51 25.8 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.468 ' O ' HD13 ' A' ' 39' ' ' ILE . . . -102.05 34.24 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.0 p -139.43 165.68 26.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.89 -43.08 4.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -52.83 170.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -125.09 141.68 51.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -73.77 128.56 35.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.14 30.01 55.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -106.3 125.64 51.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.2 127.62 33.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.8 m -150.06 173.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.3 mt -102.79 112.62 25.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.751 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -99.68 142.34 31.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -90.36 113.97 25.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -70.81 171.74 10.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t -54.86 -36.6 65.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.75 -30.48 63.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.91 -11.78 22.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.443 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.7 mt -89.51 156.3 18.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.463 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 23.8 m-85 -94.08 143.96 25.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -133.76 160.54 37.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.1 tt -80.78 131.61 35.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.558 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -157.14 169.64 34.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.471 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.527 HG22 ' HE3' ' A' ' 35' ' ' LYS . 89.0 m -119.99 127.66 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 111.181 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.5 mt -65.52 134.26 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.527 ' HE3' HG22 ' A' ' 33' ' ' THR . 9.4 mmpt? -124.48 -31.75 3.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.441 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 28.9 mtmt -145.73 157.82 43.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.6 mt -135.33 113.71 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -103.89 111.28 23.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.752 HG23 ' HH2' ' A' ' 58' ' ' TRP . 12.9 mt -74.67 -40.35 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mt -58.91 -45.87 89.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -90.99 -2.16 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 52.17 42.43 30.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.8 p -133.75 178.57 6.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.504 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 27.3 m -149.58 131.84 15.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.477 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.58 96.75 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 33' ' ' THR . 19.2 mt -110.31 141.68 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.445 HD12 ' HD2' ' A' ' 35' ' ' LYS . 10.8 mt -101.46 110.19 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.641 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 82.8 m-85 -73.59 152.77 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.32 -22.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 48' ' ' PHE . 22.1 t70 -81.36 17.33 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' PHE . 87.0 p 52.89 25.92 4.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.1 m -104.64 126.65 51.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.2 mtpt -95.92 127.44 41.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -149.69 135.03 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -71.98 102.05 2.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.751 HG21 ' HB1' ' A' ' 22' ' ' ALA . 18.5 t -86.68 137.19 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 60' ' ' ASP . 88.2 mt -68.88 138.2 54.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.752 ' HH2' HG23 ' A' ' 39' ' ' ILE . 41.8 m0 -46.93 -30.0 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.99 -28.12 35.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 57' ' ' LEU . 88.8 m-20 -85.93 -14.13 45.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.709 HD11 ' O ' ' A' ' 56' ' ' VAL . 10.9 mt -89.64 110.28 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.463 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 4.6 tt0 -83.91 128.77 34.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.1 p -99.19 99.71 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.129 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.54 98.78 0.69 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.15 165.76 34.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 111.086 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.2 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.172 -179.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -130.91 131.83 44.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 0.0 110.83 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -115.38 89.25 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.2 -150.2 25.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -95.99 105.19 17.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.856 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 p -54.19 152.21 6.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.84 57.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.549 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -148.31 111.91 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.1 145.45 38.18 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.572 0.701 . . . . 0.0 110.932 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.33 47.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -169.85 121.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.522 ' HB2' HG21 ' A' ' 37' ' ' ILE . 16.2 p -74.38 173.76 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.27 -26.93 4.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -67.84 168.5 11.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -116.21 140.92 48.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -75.25 122.32 23.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.03 21.03 47.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.498 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' HB3' HD12 ' A' ' 34' ' ' ILE . 33.2 tt0 -100.77 123.96 45.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 110.942 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.441 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.6 p30 -70.02 136.78 50.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 19' ' ' ASP . 17.4 m -156.93 172.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.0 mt -100.13 112.62 24.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.832 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -99.81 139.43 35.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -88.97 114.0 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -70.19 173.02 7.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -55.88 -33.78 64.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.11 -27.5 67.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.72 -11.94 30.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt -88.14 155.34 19.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.87 0.367 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 21.3 m-85 -94.49 141.68 28.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -131.98 162.13 31.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.483 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.0 tt -80.09 128.36 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.483 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -153.43 167.78 31.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.533 ' N ' HG23 ' A' ' 46' ' ' ILE . 67.6 m -120.56 129.81 53.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 111.099 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 18' ' ' GLN . 92.9 mt -63.38 123.88 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 10.7 mmmm -111.86 -38.29 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 15.4 mtpp -139.54 166.97 23.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.522 HG21 ' HB2' ' A' ' 12' ' ' CYS . 56.4 mt -140.41 123.44 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -117.5 120.68 38.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 mt -86.45 -35.47 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 mt -59.89 -43.47 94.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -101.09 3.8 41.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 47.67 47.14 18.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.0 p -131.29 176.7 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.561 ' HG ' ' HD1' ' A' ' 58' ' ' TRP . 18.6 m -149.9 129.35 13.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.522 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.79 93.9 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.533 HG23 ' N ' ' A' ' 33' ' ' THR . 22.7 mt -105.58 141.69 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.476 ' O ' HG22 ' A' ' 47' ' ' ILE . 10.1 mt -101.57 109.42 25.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.684 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 66.6 m-85 -72.87 151.63 41.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.88 -21.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 48' ' ' PHE . 15.4 t70 -80.18 14.39 1.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' PHE . 8.0 m 56.21 25.01 8.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.9 m -105.32 126.53 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.522 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.8 mtpt -95.77 129.33 43.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -150.76 136.09 17.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -74.41 101.57 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.832 HG21 ' HB1' ' A' ' 22' ' ' ALA . 15.3 t -87.87 138.5 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.722 HD13 ' HE2' ' A' ' 59' ' ' LYS . 67.2 mt -68.41 141.76 55.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.65 ' HA ' HD12 ' A' ' 61' ' ' ILE . 40.5 m0 -50.39 -21.87 1.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.722 ' HE2' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.97 -28.97 19.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.05 -7.31 58.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.695 HD11 ' O ' ' A' ' 56' ' ' VAL . 12.0 mt -96.0 106.44 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.489 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 13.2 tt0 -83.09 118.76 23.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.0 p -86.78 101.0 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.93 147.2 16.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -120.26 143.79 48.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.182 -179.93 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 1' ' ' GLY . 49.1 m -36.71 115.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -122.41 97.16 5.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.77 -139.26 2.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m 51.74 41.93 29.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.83 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -108.13 -49.35 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.44 -126.94 8.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -46.99 99.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -109.33 154.98 41.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.566 0.698 . . . . 0.0 110.87 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -176.61 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.702 2.268 . . . . 0.0 112.372 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -109.68 165.9 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.9 p -70.33 178.84 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.0 pttt -133.12 -36.32 1.02 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.437 ' HB3' HD13 ' A' ' 34' ' ' ILE . 67.4 m-85 -62.22 172.16 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -122.31 145.06 48.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -74.72 129.88 38.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.41 29.1 60.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HB3' HD12 ' A' ' 34' ' ' ILE . 35.6 tt0 -103.53 120.73 41.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.54 120.34 15.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.5 m -140.75 178.28 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.0 mt -105.74 112.47 25.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.811 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.67 142.43 32.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HG3' ' CE1' ' A' ' 29' ' ' PHE . 5.6 ttt180 -90.32 112.18 23.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.19 173.55 6.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -57.57 -31.48 66.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.7 -26.13 68.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.6 -13.15 32.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -86.99 156.19 19.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.449 ' CE1' ' HG3' ' A' ' 23' ' ' ARG . 24.4 m-85 -98.3 134.09 41.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.437 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 54.0 m-85 -123.39 162.63 22.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.833 HD23 ' N ' ' A' ' 32' ' ' GLY . 4.6 tt -81.98 131.07 35.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.833 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -155.16 172.08 33.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.465 ' N ' HG23 ' A' ' 46' ' ' ILE . 65.5 m -121.78 130.86 53.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.739 0.304 . . . . 0.0 111.128 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 18' ' ' GLN . 85.8 mt -65.15 133.89 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.561 ' HD2' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -123.19 -35.68 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 24.2 mtmm -144.01 153.95 42.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.6 mt -131.2 113.61 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -103.13 124.43 48.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.4 mt -86.94 -37.26 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 40' ' ' LEU . 3.8 mt -57.52 -49.68 75.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -93.59 -0.11 56.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 51.86 45.33 28.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.4 p -129.68 178.67 6.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.484 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 9.7 m -149.94 129.34 12.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.477 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.5 t80 -76.98 97.77 4.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 33' ' ' THR . 24.5 mt -109.27 145.98 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.561 HD12 ' HD2' ' A' ' 35' ' ' LYS . 10.2 mt -105.75 113.71 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.737 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 76.6 m-85 -77.78 153.17 33.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -45.71 -21.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 48' ' ' PHE . 10.8 t70 -81.82 16.79 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.5 p 53.44 27.78 6.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.5 m -107.53 125.95 51.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -95.92 125.95 40.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -145.37 135.21 23.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -75.26 101.91 4.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.811 HG21 ' HB1' ' A' ' 22' ' ' ALA . 6.4 t -87.46 148.33 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 88.8 mt -77.63 140.82 39.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.635 ' HA ' HD12 ' A' ' 61' ' ' ILE . 41.1 m0 -47.67 -28.57 2.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -85.72 -26.67 25.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.06 -12.79 52.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 58' ' ' TRP . 11.3 mt -91.06 110.22 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -83.25 134.77 34.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 46.9 p -108.19 100.97 10.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.74 95.72 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -132.08 140.27 48.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 -179.907 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 p -171.11 155.01 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -75.96 85.19 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.15 104.94 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.5 p -71.99 94.91 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.388 . . . . 0.0 110.894 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.4 p -169.69 158.83 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -142.0 -141.61 3.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 7' ' ' GLY . 45.1 mtmt -35.82 126.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 152.39 94.83 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.583 0.706 . . . . 0.0 110.876 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -174.47 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.361 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.4 175.02 9.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.068 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.463 ' HB2' HG21 ' A' ' 37' ' ' ILE . 21.3 p -119.9 166.17 13.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -112.22 -36.97 5.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -54.19 175.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.448 ' OE1' ' C ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -128.61 152.1 48.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -84.51 122.14 28.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.77 21.11 48.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -100.97 123.48 45.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.772 0.32 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -69.18 129.79 40.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.8 m -149.32 175.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.7 mt -105.38 113.98 27.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.94 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -101.91 145.13 29.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -93.1 113.89 26.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -70.91 172.78 8.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -56.58 -32.77 65.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -60.91 -27.62 68.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.15 -9.53 31.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.5 mt -90.88 156.83 17.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.9 m-85 -96.31 138.46 33.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.45 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 54.5 m-85 -128.86 162.96 26.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.813 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.4 tt -81.2 135.48 35.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.813 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -161.1 168.26 36.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.499 ' C ' HG23 ' A' ' 46' ' ' ILE . 88.9 m -119.65 130.31 55.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.327 . . . . 0.0 111.199 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.59 133.94 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' HE3' HG22 ' A' ' 33' ' ' THR . 9.4 mmpt? -122.36 -33.06 3.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 15.1 mtmm -144.17 163.37 33.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.463 HG21 ' HB2' ' A' ' 12' ' ' CYS . 43.2 mt -137.94 112.65 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.407 ' ND2' ' HB2' ' A' ' 41' ' ' LYS . 49.1 t-20 -103.0 121.89 43.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.637 HG23 ' HH2' ' A' ' 58' ' ' TRP . 16.8 mt -87.69 -33.89 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.4 -45.82 91.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.407 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 72.7 mttt -93.17 -7.8 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 59.73 43.37 15.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.5 p -133.61 176.31 8.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.468 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 32.6 m -144.16 131.31 20.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CZ ' ' HD3' ' A' ' 53' ' ' LYS . 1.4 t80 -76.68 96.54 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.499 HG23 ' C ' ' A' ' 33' ' ' THR . 20.0 mt -111.07 142.46 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.56 HG22 ' O ' ' A' ' 47' ' ' ILE . 3.3 mt -104.04 109.82 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.673 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 68.4 m-85 -71.58 153.09 42.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -45.78 -21.47 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 48' ' ' PHE . 40.3 m-20 -81.71 16.06 1.93 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' PHE . 13.7 m 53.33 29.73 9.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -112.44 120.84 43.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.567 ' HD3' ' CZ ' ' A' ' 45' ' ' PHE . 15.0 mttt -86.86 134.63 33.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -153.16 123.95 7.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -67.67 101.85 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.94 HG21 ' HB1' ' A' ' 22' ' ' ALA . 18.1 t -89.26 137.53 21.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.88 141.07 56.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.643 ' HA ' HD12 ' A' ' 61' ' ' ILE . 45.9 m0 -48.74 -31.96 7.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.51 -25.05 38.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -88.59 -13.35 40.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.713 HD11 ' O ' ' A' ' 56' ' ' VAL . 13.8 mt -90.17 111.82 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.48 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.4 tt0 -84.95 136.59 33.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.2 p -110.91 95.55 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.47 -83.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -136.23 148.21 47.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.37 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.1 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 -179.885 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -95.27 -52.67 4.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.91 0.386 . . . . 0.0 110.887 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -85.37 135.81 33.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.32 164.64 12.8 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -78.4 108.97 12.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 0.0 110.878 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -111.9 41.57 1.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.25 -149.31 38.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -128.1 155.06 45.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -109.09 143.45 27.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.516 0.674 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 107.61 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.357 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -152.71 154.53 35.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.7 p -141.31 142.62 33.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -108.55 -26.3 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -51.4 167.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -124.81 140.55 52.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -73.16 133.78 44.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.25 26.18 74.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.48 ' HB3' HD12 ' A' ' 34' ' ' ILE . 34.1 tt0 -101.37 126.64 48.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.918 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.83 132.41 46.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.3 m -154.4 171.79 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.5 mt -102.15 113.82 27.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.759 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -101.92 144.19 30.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.0 ttm-85 -91.08 111.87 23.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -70.15 172.26 8.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t -55.77 -29.92 60.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -65.0 -26.21 68.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.64 -14.03 32.48 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.5 mt -85.47 157.04 20.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.406 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.9 m-85 -98.77 133.17 43.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.406 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 53.4 m-85 -122.87 161.32 24.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.773 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.9 tt -80.7 133.53 35.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.773 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -158.45 174.45 35.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.49 ' N ' HG23 ' A' ' 46' ' ' ILE . 94.6 m -124.61 131.14 53.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.753 0.311 . . . . 0.0 111.136 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 18' ' ' GLN . 82.0 mt -63.24 132.24 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.735 ' HD2' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -119.95 -36.18 3.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.41 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 28.0 mtmt -145.39 155.2 43.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.5 mt -132.12 108.73 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -97.11 112.27 24.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.412 HG23 ' HH2' ' A' ' 58' ' ' TRP . 13.4 mt -75.57 -38.02 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.92 -45.24 94.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -90.03 -9.28 49.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 59.47 39.01 22.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.449 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 14.2 p -128.83 -178.37 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.498 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 25.3 m -151.36 127.99 10.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.5 t80 -76.97 95.71 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 33' ' ' THR . 20.2 mt -105.66 147.18 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.735 HD12 ' HD2' ' A' ' 35' ' ' LYS . 11.0 mt -107.06 109.88 29.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.696 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 71.6 m-85 -73.83 152.94 40.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.472 ' HG2' HD22 ' A' ' 31' ' ' LEU . 37.2 mm-40 -45.56 -21.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' PHE . 1.1 m-20 -81.73 16.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' PHE . 8.9 m 53.69 27.87 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.4 m -107.33 126.34 52.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.815 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 5.6 mtpt -96.25 126.74 41.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -145.85 135.99 23.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -75.13 101.82 4.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.759 HG21 ' HB1' ' A' ' 22' ' ' ALA . 11.0 t -89.74 138.89 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.68 140.8 53.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.582 ' HA ' HD12 ' A' ' 61' ' ' ILE . 41.4 m0 -47.59 -32.11 5.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -25.07 33.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -87.31 -9.88 53.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.617 HD11 ' O ' ' A' ' 56' ' ' VAL . 14.7 mt -94.46 111.19 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 8.2 tt0 -84.62 125.8 32.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.5 p -98.5 99.01 10.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.41 124.95 37.64 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -106.99 133.66 51.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.788 0.328 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.882 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 m -82.64 99.66 9.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.869 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 p 37.97 41.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.91 -55.61 2.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 p -68.04 -51.86 42.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -166.29 157.06 12.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.56 -101.07 0.14 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 tptt -86.28 149.52 25.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 36.3 ttmt -101.63 140.1 20.94 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.604 0.716 . . . . 0.0 110.861 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 53.5 Cg_endo -69.78 153.49 68.77 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.686 2.258 . . . . 0.0 112.347 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -147.94 156.25 42.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.627 ' HB2' HG21 ' A' ' 37' ' ' ILE . 24.1 p -99.57 172.89 7.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -125.58 -34.87 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.427 ' HB3' HD13 ' A' ' 34' ' ' ILE . 66.4 m-85 -61.63 171.67 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -121.21 146.35 46.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -74.08 132.85 42.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.08 31.41 66.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.556 ' HB3' HD12 ' A' ' 34' ' ' ILE . 34.3 tt0 -105.03 122.87 46.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -69.5 120.45 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.2 m -141.25 173.67 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 mt -103.11 114.49 28.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.805 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -104.85 140.06 38.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -88.73 114.67 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -70.38 171.43 10.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 m -55.31 -29.82 59.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.17 -34.12 75.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.801 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.49 -14.37 11.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.6 mt -88.41 156.34 19.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -95.03 138.89 32.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -129.45 158.92 37.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.783 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.7 tt -78.06 134.76 37.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.783 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -159.65 168.9 35.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.458 ' N ' HG23 ' A' ' 46' ' ' ILE . 86.5 m -118.59 131.99 56.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 111.146 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.556 HD12 ' HB3' ' A' ' 18' ' ' GLN . 86.1 mt -65.54 129.22 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.618 ' HD2' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -117.62 -32.89 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.489 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 16.4 mtpp -145.16 156.28 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.627 HG21 ' HB2' ' A' ' 12' ' ' CYS . 67.6 mt -133.62 106.94 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -100.06 120.59 40.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.596 HG23 ' HH2' ' A' ' 58' ' ' TRP . 17.0 mt -86.69 -34.32 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 mt -61.2 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -96.91 -4.47 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 56.73 43.57 25.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.484 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 16.0 p -131.53 -179.99 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.536 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 18.2 m -152.19 127.91 10.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' CB ' ' HB2' ' A' ' 36' ' ' LYS . 1.6 t80 -76.61 96.0 4.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 33' ' ' THR . 20.9 mt -107.25 146.46 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.618 HD12 ' HD2' ' A' ' 35' ' ' LYS . 9.7 mt -106.85 111.66 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 70.6 m-85 -74.45 153.08 39.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -46.16 -21.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 48' ' ' PHE . 12.6 m-20 -81.06 15.14 1.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.6 m 56.03 26.42 9.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.2 m -105.3 126.46 52.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.475 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -96.7 126.82 42.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -148.36 138.23 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -77.55 102.0 6.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.805 HG21 ' HB1' ' A' ' 22' ' ' ALA . 7.4 t -88.85 136.39 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.95 143.29 55.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.637 ' HA ' HD12 ' A' ' 61' ' ' ILE . 44.8 m0 -50.95 -30.42 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -81.7 -23.97 36.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.925 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -91.27 -8.8 47.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.741 HD11 ' O ' ' A' ' 56' ' ' VAL . 14.5 mt -94.36 111.8 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -82.41 139.7 33.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.6 p -110.39 95.28 5.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.93 -173.54 43.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.27 173.97 7.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.161 -179.921 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -112.53 42.14 1.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -122.22 101.84 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.816 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.88 96.63 0.19 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 m -119.81 103.01 8.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -148.88 131.72 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.57 79.09 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 mmtt -147.4 121.16 9.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.75 154.27 94.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.931 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.553 ' HB2' HG21 ' A' ' 39' ' ' ILE . 54.4 Cg_endo -69.7 115.56 4.14 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.281 . . . . 0.0 112.372 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -123.72 149.84 45.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.868 ' HB2' HG21 ' A' ' 37' ' ' ILE . 27.9 p -106.44 81.09 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.42 -24.02 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -66.45 171.77 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -132.09 149.82 52.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.79 130.44 35.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.77 29.56 57.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.405 ' HB3' HD12 ' A' ' 34' ' ' ILE . 33.6 tt0 -109.16 124.66 51.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -69.05 136.0 51.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.3 m -156.03 176.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.7 mt -105.53 113.72 27.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.775 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.35 142.85 31.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -91.1 112.32 24.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -70.17 172.26 8.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -52.71 -41.75 64.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -54.48 -24.15 19.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.09 -8.08 41.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.5 mt -88.88 158.15 18.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -98.67 141.59 31.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -132.85 161.55 33.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.666 HD23 ' N ' ' A' ' 32' ' ' GLY . 6.2 tt -78.63 133.7 37.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.666 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -157.77 173.77 35.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.591 HG22 ' HE3' ' A' ' 35' ' ' LYS . 90.7 m -124.32 129.78 51.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.134 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.405 HD12 ' HB3' ' A' ' 18' ' ' GLN . 91.4 mt -66.21 127.69 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.598 ' HD2' HD12 ' A' ' 47' ' ' ILE . 8.9 mmpt? -117.42 -32.45 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 13.6 mtpp -144.97 156.65 44.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.868 HG21 ' HB2' ' A' ' 12' ' ' CYS . 45.6 mt -134.58 107.52 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -99.36 117.82 34.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.662 HG23 ' HH2' ' A' ' 58' ' ' TRP . 16.9 mt -83.02 -35.3 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.79 -47.35 86.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -93.85 -2.24 53.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 54.93 43.3 30.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.5 p -131.41 178.4 6.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.543 ' HG ' ' HD1' ' A' ' 58' ' ' TRP . 12.6 m -150.48 130.35 13.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.486 ' CB ' ' HB2' ' A' ' 36' ' ' LYS . 1.8 t80 -76.91 98.97 5.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 33' ' ' THR . 28.4 mt -110.22 149.04 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.598 HD12 ' HD2' ' A' ' 35' ' ' LYS . 7.9 mt -110.62 111.2 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.638 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 83.2 m-85 -74.45 151.96 39.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -45.11 -21.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 48' ' ' PHE . 22.2 t70 -80.69 14.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 48' ' ' PHE . 6.9 m 55.95 25.18 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -104.48 126.17 51.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.43 127.16 42.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -148.19 131.99 17.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -72.88 102.36 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.775 HG21 ' HB1' ' A' ' 22' ' ' ALA . 2.9 t -89.94 141.18 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.446 HD13 ' HE2' ' A' ' 59' ' ' LYS . 97.7 mt -71.1 144.83 50.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.662 ' HH2' HG23 ' A' ' 39' ' ' ILE . 44.4 m0 -50.62 -29.17 10.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.446 ' HE2' HD13 ' A' ' 57' ' ' LEU . 15.3 pttt -81.56 -22.84 37.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.622 ' HB2' HG12 ' A' ' 56' ' ' VAL . 96.1 m-20 -90.07 -18.53 25.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.531 HD11 ' O ' ' A' ' 56' ' ' VAL . 16.2 mt -87.3 110.7 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.09 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -87.12 124.32 33.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.7 p -90.58 98.12 11.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.526 ' O ' ' HB3' ' A' ' 65' ' ' ALA . . . -93.05 -137.72 8.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 64' ' ' GLY . . . 72.79 40.54 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.128 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -179.903 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -117.52 166.68 12.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.908 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 p -51.57 -45.94 63.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.6 -45.19 2.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -101.34 99.07 9.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 m -124.39 114.35 19.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.75 178.44 13.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -160.07 143.37 13.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -121.09 150.25 53.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.435 ' O ' HG21 ' A' ' 39' ' ' ILE . 54.0 Cg_endo -69.73 151.6 69.3 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.743 2.296 . . . . 0.0 112.335 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.23 173.36 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 24.5 p -91.54 177.93 6.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.19 -32.06 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -55.12 174.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -127.43 138.01 52.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.64 130.25 42.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.28 32.11 56.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.522 ' HB3' HD12 ' A' ' 34' ' ' ILE . 34.3 tt0 -108.92 124.49 50.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.69 134.05 48.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.0 m -155.89 173.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.7 mt -103.27 115.55 30.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.753 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -103.12 143.14 32.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -90.0 112.24 23.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -70.08 172.62 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -55.02 -33.34 62.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.31 -27.27 68.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.43 -13.14 30.63 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.538 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.0 mt -86.4 157.84 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 110.948 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.1 m-85 -97.94 138.17 35.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.416 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 58.0 m-85 -128.93 159.98 34.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.649 HD23 ' N ' ' A' ' 32' ' ' GLY . 6.7 tt -77.87 133.02 38.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.947 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.649 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -157.44 172.77 34.86 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.497 ' N ' HG23 ' A' ' 46' ' ' ILE . 89.4 m -124.16 131.65 53.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 111.117 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' A' ' 18' ' ' GLN . 74.2 mt -62.42 126.22 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 8.0 mmmt -114.96 -33.03 5.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 14.8 mtpp -146.66 165.16 30.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 57.6 mt -140.82 107.25 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -97.94 111.29 23.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.445 ' HA ' ' CZ2' ' A' ' 58' ' ' TRP . 8.1 mt -73.5 -41.01 56.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 mt -60.87 -47.75 84.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.976 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -85.12 -7.74 58.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 56.72 33.41 22.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.486 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 8.3 p -124.57 -177.33 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.519 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 18.7 m -151.73 128.88 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 53' ' ' LYS . 1.4 t80 -76.65 95.77 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 33' ' ' THR . 19.6 mt -105.51 146.12 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.18 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.441 ' O ' HG22 ' A' ' 47' ' ' ILE . 9.1 mt -106.41 112.03 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.692 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 72.9 m-85 -75.92 152.34 37.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.474 ' HG2' HD22 ' A' ' 31' ' ' LEU . 54.6 mm-40 -45.15 -21.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' PHE . 7.8 m-20 -80.74 14.85 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 48' ' ' PHE . 13.4 p 55.77 24.99 7.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.8 m -105.09 126.17 51.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 6.1 mtpt -95.66 128.32 42.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -146.61 136.8 23.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -76.14 102.07 5.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.753 HG21 ' HB1' ' A' ' 22' ' ' ALA . 11.2 t -87.95 147.94 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.497 HD13 ' HE2' ' A' ' 59' ' ' LYS . 81.9 mt -78.28 140.54 38.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.623 ' HA ' HD12 ' A' ' 61' ' ' ILE . 40.3 m0 -48.96 -29.59 4.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.497 ' HE2' HD13 ' A' ' 57' ' ' LEU . 58.9 pttt -86.33 -23.07 26.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.865 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.18 -12.18 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 58' ' ' TRP . 12.9 mt -90.43 108.75 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.456 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.8 tt0 -86.69 123.8 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.2 p -92.93 95.04 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.59 95.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -99.02 39.39 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.826 0.346 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.7 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.136 -179.919 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 p -121.61 -15.36 8.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 m 39.42 46.1 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.66 173.33 23.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -47.06 166.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 t -138.08 145.72 42.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.14 40.84 3.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -117.16 151.26 37.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.341 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -145.92 138.24 13.61 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 102.96 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.25 87.58 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 24.9 p -114.9 158.31 22.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -94.97 -34.62 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -71.52 170.6 13.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -123.25 146.76 47.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -77.83 128.14 33.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.15 29.07 57.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -107.43 124.41 49.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.318 . . . . 0.0 110.918 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.15 132.64 46.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.4 m -152.56 174.76 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.0 mt -103.47 114.46 28.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.727 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -102.4 142.81 33.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.5 ttm-85 -91.05 112.18 23.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -70.19 172.07 8.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -55.33 -32.86 62.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.42 -27.8 68.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.15 -8.64 31.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.1 mt -91.06 156.36 17.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.837 0.351 . . . . 0.0 110.928 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 26.3 m-85 -96.05 138.59 33.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -129.14 161.63 29.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.751 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.7 tt -80.4 131.24 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.751 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -156.16 168.87 33.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.51 HG22 ' HE3' ' A' ' 35' ' ' LYS . 97.9 m -119.56 130.94 55.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 111.154 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.93 130.99 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.672 ' HD2' HD12 ' A' ' 47' ' ' ILE . 9.1 mmpt? -119.95 -34.89 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.496 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 20.3 mtpt -141.64 156.62 45.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.2 mt -134.45 106.32 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -96.82 124.07 40.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.8 mt -88.7 -33.07 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.47 -45.12 92.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -95.07 -3.94 47.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 55.82 39.59 30.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.44 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 19.3 p -125.93 179.75 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.514 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 13.3 m -150.59 128.6 11.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 53' ' ' LYS . 1.9 t80 -76.69 96.82 4.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 33' ' ' THR . 25.1 mt -109.03 147.82 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.672 HD12 ' HD2' ' A' ' 35' ' ' LYS . 8.5 mt -108.62 111.26 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.676 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 77.8 m-85 -74.51 152.53 39.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HG2' HD22 ' A' ' 31' ' ' LEU . 8.0 mm-40 -45.58 -21.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' PHE . 3.7 m-20 -81.29 15.92 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' PHE . 10.8 p 54.47 28.62 9.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -107.76 126.12 52.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 5.5 mtpt -96.41 125.91 41.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -147.23 137.36 23.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -76.12 101.59 5.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.731 ' O ' HD11 ' A' ' 61' ' ' ILE . 5.3 t -88.83 135.22 26.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.86 142.04 57.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.599 ' HA ' HD12 ' A' ' 61' ' ' ILE . 44.7 m0 -48.86 -29.83 5.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -81.54 -25.86 35.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.69 -13.19 43.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.731 HD11 ' O ' ' A' ' 56' ' ' VAL . 12.5 mt -91.69 111.53 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.504 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 5.3 tt0 -86.79 140.08 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.3 p -112.77 95.6 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.14 -159.47 0.14 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.512 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.04 139.5 30.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 -179.913 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 p -66.59 160.33 25.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.387 . . . . 0.0 110.849 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.7 m -71.96 138.04 47.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.818 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -138.55 -81.54 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 90.2 p 36.39 42.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.388 . . . . 0.0 110.871 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -95.81 143.2 27.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.04 -93.61 0.14 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -85.17 157.55 20.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.458 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 74.8 tttt -101.76 140.83 21.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.588 0.709 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 53.4 Cg_endo -69.79 135.04 29.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.712 2.275 . . . . 0.0 112.308 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -174.75 151.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.7 p -88.87 166.53 13.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -125.34 -25.54 3.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -58.82 167.55 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -118.32 146.96 43.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -78.55 125.28 29.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.41 27.13 49.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.53 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.46 ' HB3' HD12 ' A' ' 34' ' ' ILE . 33.0 tt0 -104.51 125.12 50.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.42 134.34 48.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.6 m -155.27 174.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.3 mt -104.18 112.76 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.926 ' HB1' HG21 ' A' ' 56' ' ' VAL . . . -100.3 140.93 33.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -89.66 114.26 25.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -70.08 173.09 6.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 p -55.02 -35.53 64.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.33 -28.83 65.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.67 -10.42 27.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.15 156.8 18.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.81 0.338 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.482 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 24.3 m-85 -95.96 140.55 30.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.843 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.45 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 58.5 m-85 -131.09 161.92 31.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.933 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 32' ' ' GLY . 5.2 tt -79.2 129.36 34.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.577 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -155.2 171.07 33.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.468 ' N ' HG23 ' A' ' 46' ' ' ILE . 59.8 m -122.29 132.38 54.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.103 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.46 HD12 ' HB3' ' A' ' 18' ' ' GLN . 92.3 mt -65.22 122.18 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 34' ' ' ILE . 10.8 mmmm -109.97 -35.07 6.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HB2' ' CB ' ' A' ' 45' ' ' PHE . 31.7 mtpt -142.59 165.93 26.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.2 mt -140.97 115.01 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -109.11 126.44 53.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.8 mt -91.6 -35.02 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.2 mt -59.1 -41.47 88.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -103.32 1.32 32.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 51.33 43.18 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.49 ' C ' ' HG ' ' A' ' 44' ' ' CYS . 14.1 p -127.16 178.77 5.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.551 ' SG ' ' CD1' ' A' ' 58' ' ' TRP . 15.2 m -151.77 128.96 11.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.528 ' CZ ' ' CB ' ' A' ' 53' ' ' LYS . 1.7 t80 -76.54 95.09 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.468 HG23 ' N ' ' A' ' 33' ' ' THR . 24.0 mt -105.88 146.27 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.467 ' O ' HG22 ' A' ' 47' ' ' ILE . 8.9 mt -106.92 110.66 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.654 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 71.6 m-85 -73.48 154.82 39.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -47.63 -22.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' OD1' ' CB ' ' A' ' 52' ' ' SER . 28.6 p30 -79.86 12.76 2.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 p 58.17 25.74 12.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.464 ' CB ' ' OD1' ' A' ' 50' ' ' ASP . 5.4 m -105.25 126.42 52.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.528 ' CB ' ' CZ ' ' A' ' 45' ' ' PHE . 5.9 mtpt -95.76 127.91 42.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -148.99 133.61 17.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -72.72 103.21 3.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.926 HG21 ' HB1' ' A' ' 22' ' ' ALA . 16.5 t -89.3 145.16 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.582 HD13 ' HE2' ' A' ' 59' ' ' LYS . 75.3 mt -75.23 141.62 43.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.551 ' CD1' ' SG ' ' A' ' 44' ' ' CYS . 44.0 m0 -50.01 -32.68 15.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.582 ' HE2' HD13 ' A' ' 57' ' ' LEU . 38.8 pttt -81.63 -20.32 39.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.26 -15.02 26.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.585 HG13 HG12 ' A' ' 56' ' ' VAL . 16.3 mt -88.79 107.81 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.482 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 8.4 tt0 -86.59 112.92 22.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.0 p -68.31 100.26 1.03 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.19 81.55 0.31 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.32 123.84 47.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 111.086 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.91 . . . . . . . . 0 0 . 1 stop_ save_