data_2d86_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 2d86 _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 ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.466 -0.135 0 CA-C-O 120.803 0.251 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.519 ' CD1' HG12 ' A' ' 37' ' ' VAL . 6.9 p-90 -86.12 -23.96 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -67.92 -54.25 20.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -66.34 -32.81 74.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.7 t -57.12 -45.48 83.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.0 -48.91 6.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' TRP . 6.8 mm-40 -52.22 -66.97 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.519 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 36.6 t90 -37.5 -47.7 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.419 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 61.3 mt -54.89 -54.16 46.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 77.9 mt -53.71 -47.14 62.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -66.5 -32.36 73.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.519 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 65.1 m -70.8 -0.7 9.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm 69.48 47.49 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.46 HG21 ' N ' ' A' ' 24' ' ' LEU . 34.3 m -126.5 -28.83 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.566 HD21 ' CE1' ' A' ' 28' ' ' HIS . 63.9 mt -129.92 146.22 60.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.632 0.73 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 54.2 Cg_endo -69.76 147.84 63.79 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.402 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.8 p -61.53 -21.2 64.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -111.36 20.92 16.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.566 ' CE1' HD21 ' A' ' 24' ' ' LEU . 2.4 t-160 -51.38 169.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -82.36 -18.37 42.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.2 m -76.02 -16.8 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.8 p -82.19 -8.43 59.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -80.09 139.73 36.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -41.64 78.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.3 m -58.39 -22.24 53.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.14 168.29 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' VAL . 81.0 mt-30 -154.55 163.79 39.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.519 HG12 ' CD1' ' A' ' 11' ' ' TRP . 5.3 m -36.01 -40.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -55.63 -62.43 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -41.0 -55.96 2.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.2 tp -66.3 -26.42 67.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.531 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . . . -80.67 -12.72 59.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -86.75 -50.29 6.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.3 t -51.23 -20.44 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 47' ' ' GLY . 4.5 mt -107.71 -24.4 11.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.976 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -41.12 -32.34 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -75.18 -38.03 61.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 89.54 16.71 56.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.479 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.8 t -88.67 -28.02 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.371 . . . . 0.0 111.095 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLN . 16.4 tp -83.97 -51.36 7.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.56 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . 11.6 mt -37.22 -54.41 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.423 ' HA ' ' CD1' ' A' ' 62' ' ' ILE . 97.1 m -52.28 -40.87 62.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' LEU . 30.4 mt-30 -60.71 -51.79 67.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.0 tp -38.9 -56.47 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 43.0 mt -60.82 -40.75 93.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 88.4 m-20 -63.62 -21.9 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -80.74 -47.11 14.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.16 -54.54 24.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -114.82 159.96 20.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.21 143.72 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 60.82 35.51 19.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 m -79.52 -44.14 21.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.435 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 36.9 mt -145.77 127.45 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -75.17 107.91 7.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.9 mt -48.17 -34.04 9.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -66.45 -35.34 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.98 -24.46 66.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.3 pt -105.35 142.36 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.863 0.364 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -57.77 -49.33 76.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.79 -50.42 69.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 37.0 m -51.87 -66.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.7 mt -42.98 -42.75 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 -52.3 65.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -51.29 -61.25 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.3 mt -40.38 -52.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.6 mtp85 -52.3 -47.26 66.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.6 m -49.04 -42.91 39.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.56 ' CD2' ' HB3' ' A' ' 50' ' ' LEU . 2.5 t80 -65.86 -42.92 89.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.2 mt -61.53 -35.0 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.2 m -71.31 -48.14 52.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.16 -22.73 61.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 6.2 m -70.17 -21.27 63.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 62.5 m -113.85 -18.35 11.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.26 -48.82 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.6 m -80.57 -47.26 14.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.522 ' CE2' HD13 ' A' ' 122' ' ' LEU . 16.0 m-85 -93.7 -61.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.53 56.61 0.81 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 34.3 mtm -100.3 -179.02 3.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -66.66 154.24 41.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -95.88 -17.88 20.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.5 t -81.29 -37.67 28.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.451 ' N ' ' CD ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -60.93 -46.48 90.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.0 mt -38.43 157.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -95.15 164.15 12.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -81.11 121.21 25.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.66 -47.05 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 14.4 t80 -58.91 -56.72 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 104' ' ' PHE . 40.4 m-20 -38.2 -41.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 38.3 tp -75.68 -53.17 8.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -50.44 -65.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.406 ' HB3' ' CG ' ' A' ' 110' ' ' ARG . 9.8 t0 -70.79 -6.23 36.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.0 t 57.96 37.71 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.406 ' CG ' ' HB3' ' A' ' 108' ' ' ASP . 19.2 mtp180 -69.23 -64.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -120.71 86.27 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 41' ' ' ALA . 45.7 t80 -68.11 -40.07 82.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.48 -30.74 4.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -67.69 -34.4 76.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.2 t -72.5 -40.34 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 14.1 mt -56.75 -44.69 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -60.35 -43.32 96.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 89.6 m -47.47 -34.55 7.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.0 mt -80.5 -33.81 36.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.7 m -54.15 -37.05 63.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 121' ' ' ARG . 4.5 mtm105 -77.17 -51.21 11.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.522 HD13 ' CE2' ' A' ' 93' ' ' PHE . 9.6 tp -43.93 -48.55 8.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.5 p -42.07 -37.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.444 ' CG ' ' N ' ' A' ' 125' ' ' THR . 13.1 ptt180 -55.85 -44.48 78.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 124' ' ' ARG . 81.5 p -36.02 146.48 0.2 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.577 0.703 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.01 3.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.06 -32.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.5 -41.59 27.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 29.5 mt -69.5 -39.73 77.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.76 -48.72 5.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.3 p -56.6 -32.66 65.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.98 22.18 36.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 134' ' ' ARG . 46.0 mt -81.66 135.25 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 0.0 111.134 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 133' ' ' ILE . 16.4 mmm-85 -32.84 96.17 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.561 0.696 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 133' ' ' ILE . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.41 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.771 0.238 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.555 ' CD1' HG11 ' A' ' 37' ' ' VAL . 8.3 p-90 -98.76 -28.36 13.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.48 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 23.5 mmtt -58.82 -52.83 64.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -68.12 -38.36 82.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.3 t -48.83 -49.02 41.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.03 -49.56 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -51.9 -65.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.454 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 18.6 t90 -41.79 -45.55 3.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 39.6 mt -57.84 -50.55 72.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.27 -43.53 76.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -72.34 -30.77 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.454 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 56.2 m -71.31 -1.05 11.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 67.79 49.33 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.442 HG21 ' N ' ' A' ' 24' ' ' LEU . 35.5 m -125.57 -29.36 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.575 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 63.8 mt -133.76 151.24 76.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.634 0.73 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.82 152.96 69.16 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.285 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.4 p -62.99 -29.16 70.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.66 24.08 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CE1' ' CD2' ' A' ' 24' ' ' LEU . 2.8 t-160 -50.48 170.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.4 ptt-85 -78.35 -26.19 46.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.9 m -69.58 -25.04 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.8 p -68.42 -38.82 81.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -53.26 148.95 7.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -64.04 -47.91 78.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 t -50.34 -22.5 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.95 160.53 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -147.54 170.29 17.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.555 HG11 ' CD1' ' A' ' 11' ' ' TRP . 3.8 m -40.8 -51.4 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -45.95 -61.41 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -38.84 -59.67 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.69 -25.03 68.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.555 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . . . -78.76 -23.73 45.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -79.84 -53.59 6.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 t -47.92 -24.23 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.142 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -104.56 -23.73 13.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -46.36 -28.59 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -66.99 -43.69 82.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.9 24.4 22.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.8 t -104.92 -35.12 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.7 tp -77.5 -48.75 16.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -39.06 -56.54 1.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 66.6 m -51.33 -43.81 61.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' LEU . 14.6 mt-30 -55.77 -53.62 54.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' GLN . 18.5 tp -36.31 -55.28 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.476 HD22 ' CE1' ' A' ' 93' ' ' PHE . 47.7 mt -58.59 -45.2 89.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -57.85 -32.4 67.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -69.02 -50.84 45.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.544 ' C ' ' CG2' ' A' ' 127' ' ' ILE . 22.0 mt -65.83 -56.64 10.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.8 ttm-85 -109.45 160.26 16.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.83 143.88 26.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 58.77 26.62 14.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 m -66.13 -41.26 90.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 63' ' ' ASN . 37.3 mt -148.57 137.04 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.407 ' N ' HG23 ' A' ' 62' ' ' ILE . 45.0 t-20 -83.62 105.68 14.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.0 mt -46.73 -31.95 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -69.17 -34.27 74.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.54 -21.94 66.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.7 pt -108.16 138.73 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.478 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 47.7 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.84 0.352 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -59.93 -51.14 70.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.2 mt -71.58 -59.35 2.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.8 t -39.56 -51.07 2.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.2 -46.97 88.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.443 ' C ' ' CD ' ' A' ' 80' ' ' LYS . 2.9 tmtm? -58.0 -56.19 25.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' ILE . 23.5 m-20 -44.61 -64.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' ASN . 84.9 mt -37.74 -57.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -49.23 -43.07 42.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.8 m -51.71 -43.65 62.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -63.61 -62.1 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.552 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 14.0 mt -48.27 -35.34 11.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 88.5 m -62.14 -36.33 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.9 -33.26 68.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.4 m -59.22 -13.89 9.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 39.4 t -114.64 -26.84 7.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -90.2 -57.56 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 52.3 m -67.43 -55.98 11.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.541 ' CE2' HD12 ' A' ' 122' ' ' LEU . 73.1 m-85 -87.49 -66.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 101.78 68.97 0.83 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.7 ptm -116.75 170.7 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -59.7 118.03 5.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -37.0 85.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -56.67 -25.18 53.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -78.75 -37.34 41.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.6 mt -52.27 160.6 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.552 ' CZ ' HD21 ' A' ' 86' ' ' LEU . 48.7 p90 -91.38 178.11 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 103' ' ' ALA . 16.1 mm-40 -100.54 120.66 40.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 102' ' ' GLU . . . -34.67 -43.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.081 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' ASP . 17.4 t80 -60.77 -60.29 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' PHE . 23.3 m-20 -36.79 -38.3 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.0 tp -75.14 -59.4 2.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.478 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 15.7 t80 -47.4 -60.34 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -74.32 -3.75 32.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 t 53.2 35.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -59.24 -66.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.11 95.99 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 41' ' ' ALA . 46.2 t80 -67.97 -33.29 74.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.08 -32.09 27.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.492 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -67.35 -40.07 85.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.504 HG21 ' CG ' ' A' ' 101' ' ' PHE . 59.0 t -68.83 -41.29 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 40.9 mt -57.65 -49.01 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -51.03 -51.0 57.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 89.5 m -40.78 -48.46 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 27.7 mt -62.22 -45.22 94.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.8 t -45.51 -37.02 4.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -83.11 -53.76 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.541 HD12 ' CE2' ' A' ' 93' ' ' PHE . 22.6 tp -40.77 -42.02 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.8 p -49.81 -47.05 51.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -43.74 -33.23 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 122' ' ' LEU . 72.7 p -45.42 147.17 1.46 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.585 0.707 . . . . 0.0 111.144 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -2.64 10.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.544 ' CG2' ' C ' ' A' ' 57' ' ' LEU . 5.2 mp -94.75 -36.61 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.33 -40.31 62.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 132' ' ' GLY . 47.0 mt -72.18 -40.42 67.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.46 -50.8 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 37.3 p -57.13 -33.1 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 91.08 23.68 29.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 134' ' ' ARG . 59.4 mt -79.89 141.12 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 111.119 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 133' ' ' ILE . 34.3 mmm-85 -36.28 98.68 0.16 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.718 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.772 0.238 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.54 ' CZ2' ' HD2' ' A' ' 12' ' ' LYS . 6.1 p-90 -94.14 -42.4 9.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.54 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 20.1 mmmt -45.91 -43.96 14.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -80.67 -41.57 23.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.7 t -49.4 -39.55 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.13 -45.61 33.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -55.48 -59.8 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 26.5 t90 -42.75 -46.86 5.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.445 ' CD1' HD13 ' A' ' 40' ' ' LEU . 17.1 mt -56.55 -54.66 43.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.1 mt -53.07 -42.81 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -73.45 -29.64 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 68.8 m -71.71 1.12 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp 67.22 46.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 24' ' ' LEU . 34.7 m -123.62 -29.95 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 28' ' ' HIS . 55.8 mt -132.93 151.13 77.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.706 . . . . 0.0 110.959 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.476 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.81 161.04 47.45 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.2 p -69.75 -30.14 67.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -106.54 26.61 9.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.56 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.3 t-80 -53.14 -175.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.411 ' H ' ' CG ' ' A' ' 28' ' ' HIS . 11.9 ptm180 -88.29 -33.95 17.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.7 m -63.46 -14.5 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.2 p -82.6 -30.81 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -57.05 130.09 44.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -47.32 -41.8 19.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.5 p -59.29 -37.65 78.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.67 160.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.069 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' VAL . 69.5 mt-30 -146.75 160.31 42.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.509 HG13 ' CG ' ' A' ' 11' ' ' TRP . 2.6 m -34.52 -46.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -50.77 -59.98 3.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -40.88 -57.93 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 18' ' ' LEU . 27.3 tp -63.35 -27.03 69.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.421 ' HB1' ' CD1' ' A' ' 112' ' ' PHE . . . -76.19 -27.68 56.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -74.28 -56.79 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.7 t -45.15 -21.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.5 mt -107.37 -27.52 10.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -44.74 -37.79 3.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.44 -45.73 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.23 25.21 14.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.6 t -105.21 -32.99 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.897 0.38 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 50' ' ' LEU . 42.7 tp -82.94 -53.26 5.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.4 mt -34.26 -59.24 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.9 m -48.39 -44.57 34.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' LEU . 19.2 mt-30 -55.54 -47.7 75.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' GLN . 56.8 tp -34.87 -63.45 0.32 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.495 HD23 ' CE1' ' A' ' 93' ' ' PHE . 58.1 mt -57.38 -46.81 83.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -53.81 -25.23 18.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -81.6 -43.8 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.2 mt -69.6 -53.66 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.447 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 9.0 ttt180 -118.28 159.36 23.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.21 146.85 23.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.6 m170 62.64 28.58 16.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.8 m -75.12 -44.67 45.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.7 mt -148.9 122.69 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' GLU . 48.7 t-20 -75.3 107.33 7.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.4 mt -43.35 -32.97 0.91 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -68.09 -38.78 82.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' ASN . 13.7 mt-10 -62.89 -27.0 69.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 21.5 pt -103.59 130.06 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.405 ' ND2' HD23 ' A' ' 77' ' ' LEU . 37.9 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.798 0.332 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -65.45 -58.57 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.405 HD23 ' ND2' ' A' ' 68' ' ' ASN . 37.6 mt -63.76 -62.77 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' LEU . 48.9 t -38.23 -61.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.0 mt -47.07 -56.45 6.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -58.75 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 82' ' ' ILE . 80.5 m-20 -41.74 -65.29 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 81' ' ' ASN . 71.7 mt -35.0 -53.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -54.94 -50.77 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.0 m -44.57 -38.63 4.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.429 ' CZ ' ' SG ' ' A' ' 89' ' ' CYS . 6.2 t80 -68.69 -60.2 2.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.446 HD23 ' CZ ' ' A' ' 101' ' ' PHE . 19.9 mt -45.51 -28.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.5 m -69.8 -51.15 36.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -39.94 75.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.429 ' SG ' ' CZ ' ' A' ' 85' ' ' PHE . 56.2 m -52.31 -19.52 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 47.7 t -111.69 -27.91 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -86.63 -54.89 4.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.447 ' CG2' ' HD3' ' A' ' 58' ' ' ARG . 67.9 m -68.15 -56.87 7.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.655 ' CD2' ' CD1' ' A' ' 122' ' ' LEU . 14.1 m-85 -88.94 -64.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.79 65.59 0.8 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.5 ptp -110.38 -175.56 2.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.788 0.328 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.412 ' CB ' ' HG2' ' A' ' 99' ' ' GLU . 15.7 mmt85 -65.06 100.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -54.93 -27.28 42.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -69.88 -29.82 67.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.445 ' HG3' ' NE ' ' A' ' 121' ' ' ARG . 15.7 mm-40 -70.47 -31.55 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.7 mt -52.68 160.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.454 ' CD2' HG21 ' A' ' 115' ' ' VAL . 10.0 p90 -94.19 178.8 5.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -93.81 161.66 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.98 68.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.622 ' CZ ' ' CG ' ' A' ' 108' ' ' ASP . 12.6 t80 -67.67 -47.89 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -37.28 -43.73 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.2 tp -81.22 -52.48 7.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -47.38 -58.61 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.622 ' CG ' ' CZ ' ' A' ' 104' ' ' PHE . 0.6 OUTLIER -81.98 16.11 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 15.7 t 38.28 43.14 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.2 mtp85 -64.35 -63.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -134.26 99.2 4.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.421 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 30.0 t80 -71.26 -36.89 71.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.68 -36.17 6.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -66.15 -37.15 84.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.454 HG21 ' CD2' ' A' ' 101' ' ' PHE . 38.5 t -72.22 -38.32 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.38 -47.67 92.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.426 ' C ' ' OE1' ' A' ' 117' ' ' GLU . 0.2 OUTLIER -54.2 -48.72 70.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 99.4 m -39.63 -49.69 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.67 -47.45 75.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.8 p -44.4 -38.04 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.445 ' NE ' ' HG3' ' A' ' 99' ' ' GLU . 25.7 mtp85 -77.48 -60.12 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.655 ' CD1' ' CD2' ' A' ' 93' ' ' PHE . 9.1 tp -38.97 -40.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 76.6 p -44.45 -45.11 8.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 125' ' ' THR . 11.3 ptt-85 -46.58 -36.42 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.466 ' N ' ' HG3' ' A' ' 124' ' ' ARG . 72.0 p -45.69 146.62 1.8 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 111.148 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 0.5 5.56 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.24 . . . . 0.0 112.341 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.34 -44.98 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.75 77.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.093 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 33.0 mt -67.01 -38.14 85.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.04 -46.22 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 41.6 p -58.65 -34.41 71.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.5 26.45 17.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 134' ' ' ARG . 47.5 mt -85.17 139.65 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 133' ' ' ILE . 11.5 mmm180 -36.36 98.68 0.16 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.681 0.753 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.762 0.234 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.592 ' CZ2' ' HE3' ' A' ' 12' ' ' LYS . 25.3 p-90 -60.25 -40.46 90.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.592 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 3.2 mmpt? -36.83 -63.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -64.3 -41.36 96.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.5 t -46.51 -49.48 18.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.36 -46.99 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -55.46 -55.21 34.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.533 ' CZ3' ' HB3' ' A' ' 119' ' ' LEU . 26.3 t90 -48.52 -46.09 38.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' CD1' HD13 ' A' ' 40' ' ' LEU . 60.9 mt -56.97 -49.05 76.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 81.0 mt -57.47 -44.99 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -69.93 -30.84 68.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.477 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 53.1 m -73.98 -0.2 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt 66.5 50.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.458 HG21 ' N ' ' A' ' 24' ' ' LEU . 35.6 m -127.6 -29.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.58 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 72.8 mt -129.12 147.3 64.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.677 0.751 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.434 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.79 155.36 66.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.709 2.272 . . . . 0.0 112.295 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.9 p -68.18 -18.75 64.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -113.09 17.31 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.58 ' CE1' ' CD2' ' A' ' 24' ' ' LEU . 2.3 t-160 -46.76 168.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -77.94 -43.8 28.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -53.18 -30.13 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 51.5 p -60.34 -31.71 70.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -63.63 136.22 57.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -53.27 -45.42 68.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -49.24 -44.3 43.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.05 160.35 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 37' ' ' VAL . 59.1 mt-30 -140.47 165.12 28.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.522 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.4 m -35.18 -47.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.688 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 11.0 t80 -46.03 -63.87 0.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' PHE . 9.4 t0 -37.23 -55.18 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 18' ' ' LEU . 60.1 tp -65.21 -32.93 74.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -75.42 -14.25 60.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.688 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 40.4 mt-30 -86.93 -49.51 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 t -56.06 -14.16 2.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.2 mt -113.1 -25.18 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.97 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -43.8 -36.13 2.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -65.3 -45.71 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.67 26.92 8.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.8 t -101.54 -38.5 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 0.0 111.145 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 52' ' ' GLN . 23.5 tp -76.1 -53.71 7.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' LEU . 9.5 mt -35.02 -56.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 59.8 m -50.0 -42.54 49.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 49' ' ' LEU . 30.1 mt-30 -56.38 -50.68 70.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.3 tp -39.72 -60.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.427 HD12 ' CD2' ' A' ' 85' ' ' PHE . 51.8 mt -57.73 -40.31 79.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -64.57 -23.53 67.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -80.18 -43.32 21.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.9 mt -70.5 -53.78 14.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.447 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 27.4 ttt-85 -116.61 155.63 28.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.55 146.83 23.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.057 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 60.86 30.9 19.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 m -76.53 -42.62 42.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 63' ' ' ASN . 26.1 mt -149.88 141.34 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.441 ' N ' HG23 ' A' ' 62' ' ' ILE . 39.8 t-20 -90.95 110.71 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.6 mt -49.04 -37.31 20.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -64.43 -35.99 82.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -68.51 -22.05 64.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 23.9 pt -105.84 137.14 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -43.06 -44.19 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 80' ' ' LYS . 94.1 mt -71.72 -70.0 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 77' ' ' LEU . 82.9 m -34.38 -52.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.7 mt -59.25 -41.89 89.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -60.31 -56.92 15.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 84' ' ' THR . 39.9 m-20 -43.8 -63.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' ASN . 84.5 mt -35.82 -55.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -51.75 -43.61 63.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 81' ' ' ASN . 58.1 m -52.67 -42.25 64.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.427 ' CD2' HD12 ' A' ' 54' ' ' LEU . 2.4 t80 -69.42 -42.16 75.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.415 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 10.1 mt -61.25 -29.78 70.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 25.1 m -73.64 -43.57 59.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.85 -41.1 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 14.6 m -56.28 -22.7 31.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 84.4 m -107.04 -19.03 13.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -95.03 -58.13 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.447 ' CG2' ' HD3' ' A' ' 58' ' ' ARG . 87.9 m -69.08 -49.89 53.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.557 ' CE2' HD13 ' A' ' 122' ' ' LEU . 24.7 m-85 -90.92 -64.32 1.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 109.75 53.28 0.59 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.6 mtp -93.29 168.47 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.7 mmt-85 -78.36 124.24 27.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -68.46 -14.35 62.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.3 t -76.75 -8.51 57.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -108.93 -29.75 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.9 mt -54.75 160.59 1.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.476 ' CG ' HG22 ' A' ' 115' ' ' VAL . 48.4 p90 -92.37 165.11 13.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -88.19 136.24 33.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.14 -48.05 6.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' ASP . 12.2 t80 -63.12 -55.39 25.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 104' ' ' PHE . 3.0 t70 -37.32 -32.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.817 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 104' ' ' PHE . 8.4 tp -89.91 -47.53 7.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -50.92 -65.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.05 -3.58 27.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.1 t 58.52 47.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -70.36 -73.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -117.0 94.53 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.404 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 10.5 t80 -68.47 -34.63 76.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.25 -32.17 28.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -68.98 -36.83 78.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.476 HG22 ' CG ' ' A' ' 101' ' ' PHE . 21.7 t -73.55 -34.11 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 29.6 mt -65.57 -52.15 54.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 120' ' ' SER . 7.2 tp10 -50.0 -47.55 52.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.7 m -42.51 -45.51 4.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.533 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 14.3 mt -69.64 -29.51 67.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 117' ' ' GLU . 38.8 m -61.17 -31.59 71.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -87.13 -44.77 11.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.557 HD13 ' CE2' ' A' ' 93' ' ' PHE . 7.7 tp -46.57 -55.38 7.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.427 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 76.5 p -39.72 -43.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -46.61 -43.62 17.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 69.1 p -39.54 149.51 0.26 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.182 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -7.25 20.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.5 mp -88.51 -35.15 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.427 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -76.73 -43.93 35.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.03 -35.32 78.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.57 -46.85 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 47.4 p -62.16 -37.91 87.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.77 23.58 17.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 134' ' ' ARG . 42.2 mt -79.82 138.13 20.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 111.161 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 133' ' ' ILE . 22.2 mmt180 -32.78 96.07 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.635 0.731 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.23 0.121 0 CA-C-O 120.715 0.214 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.57 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 15.9 p-90 -92.77 -43.99 8.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.497 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 22.8 mmtt -41.46 -43.21 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -81.6 -40.81 22.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.4 t -50.99 -39.58 55.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.91 -42.3 26.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -58.97 -61.77 2.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.49 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 12.2 t90 -42.26 -49.59 5.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.433 ' CD1' HD11 ' A' ' 40' ' ' LEU . 64.8 mt -51.79 -54.37 29.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 77.0 mt -53.29 -43.69 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -73.11 -28.34 62.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.49 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 68.5 m -72.71 2.02 7.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.822 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt 66.2 46.62 2.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 24' ' ' LEU . 33.4 m -124.84 -29.32 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.568 HD21 ' CE1' ' A' ' 28' ' ' HIS . 81.6 mt -132.14 151.55 78.6 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.614 0.721 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.476 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 54.0 Cg_endo -69.71 167.47 24.29 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.2 p -74.72 -30.34 61.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -106.16 24.92 11.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.568 ' CE1' HD21 ' A' ' 24' ' ' LEU . 2.0 t-160 -51.25 -177.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 30' ' ' VAL . 9.2 ptp85 -88.15 -39.23 14.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.464 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 4.3 m -57.15 -20.45 12.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.9 p -74.97 -30.18 61.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -60.0 143.37 51.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.75 -34.79 77.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 t -62.68 -33.02 74.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.4 163.63 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 37' ' ' VAL . 80.0 mt-30 -148.84 161.01 42.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.57 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 5.0 m -33.95 -38.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -60.79 -57.23 13.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.47 -57.83 1.71 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 18' ' ' LEU . 35.8 tp -67.04 -26.16 66.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.538 ' HB1' ' CD1' ' A' ' 112' ' ' PHE . . . -77.38 -23.14 50.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -77.53 -56.14 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.1 t -46.58 -23.95 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' GLY . 26.8 mt -102.09 -33.21 9.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' LEU . 13.3 ttt180 -37.9 -42.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.04 -45.1 83.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 94.32 31.36 8.02 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -107.56 -35.96 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 111.156 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.5 tp -78.95 -47.98 15.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.6 mt -37.78 -58.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 62.9 m -49.49 -42.64 44.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' LEU . 24.5 mt-30 -56.65 -52.0 66.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' GLN . 52.4 tp -34.33 -66.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 43.0 mt -53.13 -41.51 65.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -61.76 -27.85 69.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -76.42 -43.2 41.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.8 mt -70.66 -54.97 9.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -116.76 156.95 26.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.47 146.72 23.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 62.37 29.35 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 m -75.59 -43.91 45.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.5 mt -148.99 121.3 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.467 ' HB3' ' CG ' ' A' ' 66' ' ' GLU . 44.1 t-20 -72.86 109.8 6.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 74.2 mt -47.58 -37.37 12.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -63.81 -32.17 73.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.467 ' CG ' ' HB3' ' A' ' 63' ' ' ASN . 11.2 mm-40 -68.52 -25.18 64.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.1 pt -102.86 140.69 20.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.926 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.5 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 25.4 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.855 0.36 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.55 -55.73 31.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.5 mt -65.2 -60.16 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 82.2 m -40.08 -62.01 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.1 mt -48.43 -51.56 26.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -60.62 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' THR . 70.8 m-20 -44.07 -64.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 81' ' ' ASN . 85.3 mt -34.49 -54.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -51.96 -44.85 64.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' ASN . 93.3 m -50.58 -44.43 56.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.09 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.91 -60.53 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.9 mt -47.29 -29.81 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 32.3 m -65.48 -57.07 9.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -53.07 -39.39 63.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.2 -19.26 2.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 69.2 m -113.09 -30.32 7.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -89.67 -53.49 4.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 88' ' ' ALA . 63.6 m -68.26 -55.37 12.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -92.7 -62.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.58 62.26 0.69 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.401 ' SD ' ' OE2' ' A' ' 99' ' ' GLU . 25.1 mtm -107.84 160.27 15.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -57.55 96.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.455 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 19.7 ttmt -36.57 -41.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.5 p -51.19 -46.5 62.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 96' ' ' ARG . 4.0 pt-20 -56.21 -36.67 68.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.455 ' CD1' ' HA ' ' A' ' 97' ' ' LYS . 23.0 mt -54.85 -179.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -113.09 176.56 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -79.14 -176.19 5.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.05 -33.19 10.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -81.3 -36.41 29.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.95 -46.05 42.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 27.5 tp -73.4 -54.91 7.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.5 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 22.2 t80 -49.56 -60.88 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -78.88 9.13 4.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.7 t 40.82 44.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -69.72 -62.06 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -128.3 95.07 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.538 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 21.5 t80 -70.6 -37.42 73.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.39 -37.29 8.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -65.94 -37.06 85.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.786 0.327 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.6 t -69.53 -41.54 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 52.7 mt -59.91 -52.94 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 118' ' ' THR . 13.1 tm-20 -46.43 -58.91 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 117' ' ' GLU . 33.2 m -34.29 -50.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.202 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.68 -47.84 83.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 117' ' ' GLU . 47.9 t -42.06 -45.47 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -75.12 -44.47 46.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.9 tp -42.64 -48.62 5.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.423 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 90.3 p -42.31 -44.75 3.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -44.08 -39.66 4.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 65.4 p -42.7 147.02 0.66 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.604 0.716 . . . . 0.0 111.134 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 0.76 5.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.706 2.27 . . . . 0.0 112.322 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.71 -37.72 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -71.92 -43.51 65.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.29 -40.7 81.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.27 -49.07 5.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.6 p -57.56 -39.53 76.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.99 21.74 11.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.3 mt -78.19 142.08 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 111.098 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -43.79 110.27 0.94 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.795 0.248 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.585 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 6.0 p-90 -65.22 -35.76 82.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.567 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 20.7 mmtt -59.84 -41.38 91.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -68.48 -49.82 56.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 15' ' ' ALA . 43.1 t -49.13 -51.69 30.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' CYS . . . -35.18 -43.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -62.1 -58.32 8.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.55 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 29.7 t90 -46.42 -41.96 14.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' CD1' HD13 ' A' ' 40' ' ' LEU . 18.3 mt -60.1 -53.36 58.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.3 mt -55.05 -38.14 45.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -76.21 -31.76 58.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.55 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 65.6 m -71.11 0.4 7.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp 68.89 46.1 0.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 29.5 m -122.96 -28.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.514 HD23 ' CE1' ' A' ' 28' ' ' HIS . 84.1 mt -133.91 149.01 70.58 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.573 0.702 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 54.1 Cg_endo -69.75 167.6 23.96 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.757 2.305 . . . . 0.0 112.332 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.6 p -73.83 -34.61 64.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -103.33 26.54 8.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.514 ' CE1' HD23 ' A' ' 24' ' ' LEU . 2.2 t-80 -51.28 -178.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -80.15 -31.3 38.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.7 m -68.73 -18.16 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.5 p -85.65 -23.53 27.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -51.59 154.87 1.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -67.56 -33.5 75.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 m -92.76 31.94 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -96.56 148.52 22.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' VAL . 48.7 mt-30 -141.99 160.47 40.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.585 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 6.7 m -34.22 -43.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.3 -58.12 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -39.97 -56.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 18' ' ' LEU . 48.4 tp -67.17 -30.8 70.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.07 -25.59 62.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 44' ' ' LEU . 27.3 mt-30 -77.06 -63.77 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -42.61 -23.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 42' ' ' GLN . 31.7 mt -102.62 -31.19 10.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -40.12 -39.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -58.23 -49.91 75.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.38 28.07 8.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.6 t -104.97 -38.83 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 55.5 tp -74.12 -50.61 18.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' LEU . 14.1 mt -36.47 -54.61 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 53.0 m -54.84 -42.24 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' LEU . 27.2 mt-30 -56.45 -47.38 79.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' GLN . 68.5 tp -37.57 -59.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.458 HD22 ' CE1' ' A' ' 93' ' ' PHE . 78.0 mt -58.37 -47.24 84.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -54.67 -26.77 35.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -78.54 -46.23 20.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.3 mt -68.3 -55.01 13.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -115.02 158.78 21.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.76 148.74 21.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 58.48 34.54 24.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 m -80.6 -44.4 19.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.2 mt -147.98 127.09 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -77.85 105.91 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 74.5 mt -43.96 -34.09 1.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -64.24 -39.18 93.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.64 -29.91 70.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.9 pt -100.55 140.24 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.494 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 45.1 tt0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -49.36 -55.91 11.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 78' ' ' CYS . 46.5 mt -66.79 -65.54 0.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 77' ' ' LEU . 85.6 m -34.55 -57.24 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.8 mt -50.79 -56.79 10.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.04 -55.01 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 82' ' ' ILE . 9.9 m-20 -48.38 -66.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 81' ' ' ASN . 83.7 mt -34.41 -51.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -52.63 -53.75 42.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.813 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.5 m -40.09 -42.33 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -64.22 -67.19 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.404 HD22 ' CZ ' ' A' ' 101' ' ' PHE . 7.0 mt -42.91 -28.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.1 m -64.68 -56.59 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -53.73 -37.71 63.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 73.0 m -49.52 -28.11 5.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 14.5 t -105.94 -24.79 12.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.93 -59.45 2.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 88' ' ' ALA . 86.2 m -63.76 -54.34 36.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.458 ' CE1' HD22 ' A' ' 54' ' ' LEU . 37.9 m-85 -92.71 -64.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.66 59.27 0.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.431 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 37.7 mtm -99.08 175.28 5.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -77.6 105.75 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -34.22 4.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.9 t -59.05 -35.23 72.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.92 -37.38 64.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 76.3 mt -52.83 158.79 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.469 ' CG ' HG21 ' A' ' 115' ' ' VAL . 42.9 p90 -88.3 170.5 10.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -91.15 126.07 36.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.58 -41.68 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 105' ' ' ASP . 12.0 t80 -61.94 -58.96 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 104' ' ' PHE . 80.5 m-20 -36.67 -40.49 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.7 tp -73.51 -52.61 12.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.494 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 22.5 t80 -57.18 -57.39 12.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 109' ' ' VAL . 1.7 t70 -78.81 10.23 3.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' ASP . 3.5 t 37.45 48.78 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -74.69 -66.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -127.58 94.93 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -65.95 -42.1 90.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -44.15 -34.39 3.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.7 mtpt -63.58 -37.01 85.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.469 HG21 ' CG ' ' A' ' 101' ' ' PHE . 61.8 t -71.79 -40.31 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 55.8 mt -58.23 -46.96 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -52.36 -49.96 63.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 98.3 m -44.3 -51.18 8.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.8 mt -62.13 -40.77 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.8 t -50.0 -38.47 37.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 122' ' ' LEU . 38.6 mtp180 -81.61 -53.23 6.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.434 HD12 ' CE2' ' A' ' 93' ' ' PHE . 32.0 tp -37.15 -51.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 89.9 p -42.53 -47.43 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -42.57 -39.74 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 76.6 p -40.21 149.08 0.31 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.545 0.688 . . . . 0.0 111.159 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.08 11.29 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.242 . . . . 0.0 112.345 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.29 -45.31 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -65.23 -40.87 94.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.1 mt -73.27 -38.72 65.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.19 -43.69 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 42.9 p -62.35 -39.07 91.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.48 25.32 13.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.47 ' O ' ' C ' ' A' ' 134' ' ' ARG . 73.6 mt -83.02 138.23 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.362 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 133' ' ' ILE . 26.3 mmt180 -32.72 95.67 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 133' ' ' ILE . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.708 0.212 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.534 ' CD1' HG11 ' A' ' 37' ' ' VAL . 5.7 p-90 -95.81 -36.91 10.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -53.44 -48.92 68.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -69.15 -48.94 61.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.2 t -41.23 -45.86 2.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.21 -45.51 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -55.27 -66.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.546 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 30.1 t90 -42.03 -40.22 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 40' ' ' LEU . 20.6 mt -61.66 -52.53 63.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.2 mt -56.73 -36.33 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -77.89 -30.96 51.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.546 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 57.3 m -71.92 0.52 9.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt 67.76 50.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.443 HG22 ' N ' ' A' ' 24' ' ' LEU . 34.7 m -128.37 -29.92 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.649 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 67.4 mt -130.46 146.76 63.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.721 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.467 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.5 Cg_endo -69.7 154.88 67.43 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.0 p -65.32 -27.01 68.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -108.34 22.87 15.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.649 ' CE1' ' CD2' ' A' ' 24' ' ' LEU . 2.8 t-80 -49.25 177.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.08 -16.57 35.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.3 m -82.03 -13.49 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.0 p -83.01 -21.72 33.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -57.45 149.82 20.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -72.55 -15.34 61.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -101.3 21.55 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -95.11 158.64 15.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.077 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -139.22 162.14 35.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.534 HG11 ' CD1' ' A' ' 11' ' ' TRP . 2.7 m -37.89 -49.39 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.696 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 11.4 t80 -42.79 -62.55 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -38.49 -58.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 18' ' ' LEU . 51.6 tp -64.95 -24.42 67.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -78.96 -26.35 43.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.696 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 52.3 mt-30 -73.82 -56.62 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.4 t -45.33 -27.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.165 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 mt -102.92 -24.18 13.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -44.65 -31.91 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -53.9 16.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.19 19.24 9.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.48 -34.4 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' GLN . 20.7 tp -76.43 -52.39 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.99 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.549 HD23 ' CE2' ' A' ' 85' ' ' PHE . 12.0 mt -36.18 -56.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.7 m -52.4 -41.12 62.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' LEU . 25.8 mt-30 -57.18 -52.01 67.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 tp -38.64 -64.89 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.434 HD13 ' CD1' ' A' ' 62' ' ' ILE . 51.3 mt -51.17 -41.49 60.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 79.1 m-20 -64.33 -31.19 72.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -72.96 -44.4 61.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.65 -54.25 21.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -118.25 155.33 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.0 145.5 25.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 60.65 34.63 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -79.91 -43.38 22.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.493 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 36.6 mt -151.03 121.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -73.88 111.72 9.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.5 mt -47.95 -37.21 13.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -57.92 -40.33 80.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -62.4 -27.59 69.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 26.3 pt -103.56 138.9 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.525 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 33.9 tt0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.835 0.35 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -63.94 -46.56 84.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.8 mt -71.4 -56.95 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 60.7 m -46.36 -57.86 4.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.3 mt -51.63 -55.85 16.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -49.01 -54.5 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 82' ' ' ILE . 61.4 m-20 -45.39 -66.93 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 81' ' ' ASN . 81.8 mt -34.98 -59.15 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -43.13 -53.42 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.5 m -42.55 -49.11 5.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.549 ' CE2' HD23 ' A' ' 50' ' ' LEU . 8.9 t80 -59.95 -51.01 71.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.7 mt -59.33 -28.98 67.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 87.5 m -63.85 -64.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -48.1 -42.62 29.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.3 m -43.63 -23.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.406 ' N ' ' C ' ' A' ' 88' ' ' ALA . 46.6 m -106.11 -23.07 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 88' ' ' ALA . 4.7 mt-10 -93.68 -64.62 1.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.9 m -64.92 -43.09 93.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.548 ' CD2' HD11 ' A' ' 122' ' ' LEU . 7.0 m-85 -97.1 -63.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.04 73.95 1.21 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 65.5 mtp -121.54 173.64 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.775 0.322 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.449 ' HB2' ' CG ' ' A' ' 99' ' ' GLU . 51.7 mtt85 -65.68 114.89 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -57.74 -31.83 66.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.0 p -66.57 -25.77 66.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.786 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.449 ' CG ' ' HB2' ' A' ' 96' ' ' ARG . 5.7 mm-40 -74.57 -41.65 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.2 mt -48.37 166.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.511 ' CG ' HG21 ' A' ' 115' ' ' VAL . 43.7 p90 -96.02 178.19 5.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -94.48 141.75 28.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.11 -44.17 61.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.499 ' CE2' ' HB2' ' A' ' 108' ' ' ASP . 4.3 t80 -72.37 -48.39 42.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -38.6 -35.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 23.7 tp -90.5 -47.79 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.525 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 11.3 t80 -51.36 -69.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.499 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 3.6 t0 -67.97 -9.17 43.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.0 t 66.87 37.05 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -61.31 -65.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -131.02 96.23 4.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -70.59 -36.38 73.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.48 -29.63 17.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -68.67 -36.23 78.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.511 HG21 ' CG ' ' A' ' 101' ' ' PHE . 20.8 t -73.93 -37.86 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 49.4 mt -61.23 -47.82 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -49.67 -51.75 35.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.2 m -43.84 -44.02 6.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.76 -31.32 64.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.1 t -60.29 -38.65 84.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -89.54 -34.51 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.548 HD11 ' CD2' ' A' ' 93' ' ' PHE . 44.6 tp -50.49 -49.18 56.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.453 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 79.9 p -43.32 -33.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.3 mtt-85 -52.72 -42.53 64.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 76.7 p -40.23 149.94 0.28 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.625 0.726 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -5.56 16.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.61 -38.89 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.453 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -70.51 -43.43 69.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 132' ' ' GLY . 54.3 mt -69.84 -39.33 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -39.69 -49.72 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 36.3 p -55.06 -36.9 66.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 100.37 20.36 15.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.6 mt -79.77 135.51 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -45.91 132.33 6.93 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.309 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.764 0.235 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.544 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 12.1 p-90 -95.66 -40.02 9.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.413 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 24.6 mmtt -43.87 -47.0 8.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -77.58 -36.39 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.4 t -51.54 -41.8 61.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.99 -42.81 8.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -59.06 -63.01 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 20.6 t90 -40.35 -43.43 1.76 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 40' ' ' LEU . 81.1 mt -58.57 -51.23 70.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.3 mt -58.12 -41.18 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -74.12 -26.98 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 89.1 m -79.03 7.96 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? 57.05 47.96 16.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.1 m -125.83 -25.2 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.514 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 74.4 mt -136.32 147.79 61.6 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.455 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.6 Cg_endo -69.75 148.95 66.28 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.688 2.258 . . . . 0.0 112.31 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.1 p -62.09 -22.71 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -110.55 20.59 17.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.561 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 2.5 t-80 -49.42 171.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.561 ' HD3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -81.08 -20.8 40.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 m -74.99 -22.95 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -69.99 -35.39 74.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -54.34 140.56 33.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.01 -48.78 77.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 m -47.69 -31.98 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.63 166.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -149.9 163.11 38.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.544 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 6.6 m -40.76 -41.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.678 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 9.8 t80 -54.57 -62.61 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' PHE . 60.5 m-20 -37.27 -58.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 18' ' ' LEU . 46.2 tp -62.15 -29.07 70.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -78.83 -13.35 59.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.678 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 42.1 mt-30 -87.66 -51.38 5.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -53.82 -20.02 5.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.9 mt -106.89 -21.6 12.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -47.12 -43.2 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.78 -49.35 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.8 26.08 8.73 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.9 t -107.33 -36.57 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.9 tp -76.08 -51.89 11.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -39.76 -50.91 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 99.9 m -55.84 -41.97 75.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' LEU . 23.6 mt-30 -57.87 -49.8 75.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 52' ' ' GLN . 24.1 tp -37.98 -53.22 1.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.7 mt -63.5 -45.33 91.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -58.09 -21.69 47.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -81.17 -48.64 11.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.7 mt -69.47 -51.42 36.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.445 ' CD ' HG21 ' A' ' 92' ' ' THR . 15.8 ttt-85 -114.76 155.92 25.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.599 ' O ' ' CD2' ' A' ' 60' ' ' HIS . . . -89.87 152.01 21.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 59' ' ' ALA . 28.3 p80 48.93 38.12 11.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.415 ' C ' HG13 ' A' ' 62' ' ' ILE . 1.1 m -80.38 -33.87 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.415 HG13 ' C ' ' A' ' 61' ' ' SER . 54.8 mt -156.1 127.47 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 66' ' ' GLU . 64.2 t-20 -76.89 106.12 8.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.5 mt -46.8 -30.11 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -73.33 -32.76 64.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' ASN . 18.8 mm-40 -69.98 -21.74 63.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 9.2 pt -106.56 130.98 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.153 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.505 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 51.5 tt0 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.859 0.362 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' GLN . 4.3 t80 -35.82 -48.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.7 mt -72.32 -57.54 4.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 10.4 t -44.1 -59.27 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 mt -46.68 -59.42 3.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 83' ' ' ARG . 1.2 tmmm? -50.18 -56.0 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 80' ' ' LYS . 62.9 m-20 -36.96 -50.49 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.5 mt -60.84 -37.78 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 80' ' ' LYS . 10.1 mmt85 -48.29 -62.76 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 m -39.6 -60.67 0.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -44.81 -51.29 9.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.7 mt -61.99 -29.01 69.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.0 m -74.75 -44.09 51.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.64 -21.13 66.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.4 m -68.44 -16.61 63.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 37.4 t -121.08 -18.36 7.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -95.02 -43.8 7.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.445 HG21 ' CD ' ' A' ' 58' ' ' ARG . 86.1 m -84.35 -44.71 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.507 ' CE2' HD12 ' A' ' 122' ' ' LEU . 35.3 m-85 -97.93 -61.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.03 64.22 0.81 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.546 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.403 ' SD ' ' CD ' ' A' ' 99' ' ' GLU . 10.1 ptp -110.44 -177.67 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.836 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -69.1 96.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -47.76 -19.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.8 m -77.84 -37.38 48.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.425 ' OE2' ' CD ' ' A' ' 121' ' ' ARG . 4.7 pt-20 -62.84 -30.43 71.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.403 ' CD2' ' SD ' ' A' ' 95' ' ' MET . 25.8 mt -52.4 166.38 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE2' HG11 ' A' ' 115' ' ' VAL . 41.5 p90 -99.5 166.69 11.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -81.5 131.7 35.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -45.92 -36.82 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 10.7 t80 -72.32 -51.55 20.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 105' ' ' ASP . 0.6 OUTLIER -38.23 -43.26 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.2 tp -79.1 -51.13 9.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.505 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 10.8 t80 -47.83 -59.02 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.415 ' C ' HG23 ' A' ' 109' ' ' VAL . 2.5 t70 -82.1 -12.24 58.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.415 HG23 ' C ' ' A' ' 108' ' ' ASP . 2.9 t 67.21 38.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -59.85 -62.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -132.22 91.49 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.458 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 14.0 t80 -62.23 -36.6 82.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.11 -36.27 7.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -67.61 -37.46 82.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.505 HG11 ' CE2' ' A' ' 101' ' ' PHE . 21.7 t -69.95 -38.47 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 41.6 mt -63.13 -48.6 86.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -50.99 -47.77 61.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.5 m -43.86 -44.52 6.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.1 mt -70.66 -44.28 67.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -45.18 -29.91 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.425 ' CD ' ' OE2' ' A' ' 99' ' ' GLU . 45.0 mtt180 -92.43 -52.32 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.507 HD12 ' CE2' ' A' ' 93' ' ' PHE . 34.6 tp -37.05 -41.78 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.42 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 59.6 p -54.48 -47.99 72.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 121' ' ' ARG . 24.4 mmt-85 -39.7 -31.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' A' ' 122' ' ' LEU . 58.7 p -51.58 151.1 6.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 0.0 111.108 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -5.37 16.09 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.313 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.6 mp -88.99 -33.04 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -82.22 -47.65 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.83 -35.17 80.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -48.63 -51.18 29.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 31.8 p -56.81 -37.64 71.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.47 19.57 20.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 134' ' ' ARG . 60.7 mt -75.27 137.7 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 133' ' ' ILE . 94.3 mtt180 -36.54 98.81 0.16 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.632 0.73 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.296 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.739 0.225 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.534 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 16.6 p-90 -60.33 -31.58 70.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -52.7 -68.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -56.6 -41.06 76.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.8 t -45.6 -43.14 11.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.28 -43.89 16.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -55.33 -63.28 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.541 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 43.5 t90 -40.06 -45.03 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 mt -58.47 -52.55 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.8 mt -53.26 -39.56 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -73.91 -38.28 64.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.541 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 58.1 m -65.63 -5.86 9.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt 72.47 51.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.3 m -127.63 -31.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.631 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 69.4 mt -128.44 148.79 69.54 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.604 0.716 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.546 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.81 156.54 62.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.24 . . . . 0.0 112.349 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.5 p -66.48 -27.97 68.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -105.89 18.72 21.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.631 ' CE1' ' CD2' ' A' ' 24' ' ' LEU . 2.8 t-80 -45.67 170.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -77.4 -47.23 20.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.5 m -50.82 -31.54 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 38.9 p -55.72 -44.69 77.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -50.43 145.73 6.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -65.75 -27.55 68.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 m -64.17 -35.82 82.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.88 159.38 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' VAL . 65.3 mt-30 -142.58 166.06 25.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.534 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 4.7 m -35.93 -40.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -57.47 -64.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -39.72 -56.44 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.4 tp -66.57 -22.67 66.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -80.54 -25.16 38.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -77.23 -53.45 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.2 t -46.5 -21.32 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' GLY . 12.9 mt -110.08 -27.67 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.971 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' LEU . 19.0 ttt180 -37.29 -44.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.45 -44.23 84.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 96.35 13.86 46.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.479 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.7 t -87.35 -33.42 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 111.184 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' GLN . 13.9 tp -77.28 -53.79 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.3 mt -35.96 -56.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.423 ' HA ' ' CD1' ' A' ' 62' ' ' ILE . 67.3 m -50.22 -41.9 50.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' LEU . 12.1 mt-30 -60.17 -53.19 60.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' GLN . 30.1 tp -36.17 -59.74 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.1 mt -58.3 -36.95 74.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' GLN . 90.0 m-20 -65.85 -24.53 66.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -78.53 -44.47 24.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.8 mt -68.39 -52.91 27.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.4 ttt-85 -117.66 159.3 23.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.31 143.47 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 62.33 31.43 17.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -75.19 -46.62 32.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.423 ' CD1' ' HA ' ' A' ' 51' ' ' CYS . 42.5 mt -143.09 121.3 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -70.21 107.84 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 84.7 mt -49.81 -29.18 7.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -71.38 -33.49 69.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -70.37 -21.73 62.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.0 pt -106.62 142.07 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.429 ' ND2' HD21 ' A' ' 77' ' ' LEU . 54.1 m-80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.866 0.365 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -60.9 -60.57 3.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.429 HD21 ' ND2' ' A' ' 68' ' ' ASN . 71.6 mt -56.9 -62.46 1.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 77' ' ' LEU . 82.7 m -37.18 -59.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.7 mt -52.12 -43.24 63.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -51.32 69.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -50.4 -62.53 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.7 mt -37.76 -56.65 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -46.43 -48.08 18.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.6 m -47.91 -41.13 23.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -66.31 -53.99 30.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.481 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 30.8 mt -55.07 -30.74 60.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.2 m -73.36 -45.83 52.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.98 -18.3 59.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.4 m -69.74 -24.01 63.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 56.1 m -110.59 -17.63 13.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -92.3 -50.31 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.6 m -77.28 -55.43 5.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.47 ' CE2' HD11 ' A' ' 122' ' ' LEU . 13.2 m-85 -86.94 -58.39 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.3 65.52 0.9 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.1 ptp -111.75 -176.33 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -71.09 129.85 40.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -86.01 29.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.0 m -119.34 -28.88 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.27 -23.99 40.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 58.0 mt -51.76 161.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.481 ' CZ ' HD21 ' A' ' 86' ' ' LEU . 36.8 p90 -98.91 164.72 12.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -83.58 122.17 28.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -38.82 -40.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -64.59 -50.17 68.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -43.83 -36.35 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.7 tp -80.23 -57.8 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -45.68 -66.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.61 -4.11 14.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.2 t 56.67 33.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -54.72 -74.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -122.23 89.51 3.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -58.34 -38.63 77.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.66 -31.5 5.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -66.85 -36.97 83.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.1 -37.0 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 26.9 mt -62.35 -46.71 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -53.29 -51.65 61.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.3 m -40.29 -47.94 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.58 -40.14 95.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.7 t -52.63 -36.24 56.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.1 mtp85 -82.07 -47.68 12.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 93' ' ' PHE . 16.1 tp -48.72 -46.99 41.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 72.0 p -46.22 -24.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -68.0 -41.96 81.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 58.5 p -39.05 149.55 0.24 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 2.0 3.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.438 ' HB ' ' CE2' ' A' ' 93' ' ' PHE . 5.3 mp -96.69 -39.52 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.39 -40.74 50.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 73.8 mt -69.96 -36.36 75.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.77 -49.87 10.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.0 p -57.01 -34.43 68.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.9 23.56 25.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.474 ' O ' ' C ' ' A' ' 134' ' ' ARG . 57.1 mt -79.84 135.92 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.146 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 133' ' ' ILE . 47.5 mtp85 -32.23 95.71 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.634 0.73 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.672 2.248 . . . . 0.0 112.299 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.795 0.248 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.515 ' CG ' HG13 ' A' ' 37' ' ' VAL . 6.5 p-90 -83.73 -33.77 25.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -52.19 -46.02 65.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -75.18 -41.66 57.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.6 t -47.87 -46.81 31.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.95 -43.75 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' TRP . 9.9 mm-40 -57.4 -66.73 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.542 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 30.1 t90 -35.79 -49.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.467 ' CD1' HD12 ' A' ' 40' ' ' LEU . 26.5 mt -54.68 -53.77 50.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.9 mt -53.32 -42.04 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -73.19 -31.97 64.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.542 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 56.0 m -72.85 2.04 7.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm 65.41 45.89 2.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.456 HG23 ' CD2' ' A' ' 18' ' ' LEU . 16.6 m -122.4 -25.48 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.627 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 86.6 mt -134.74 148.88 69.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.441 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 54.0 Cg_endo -69.73 166.91 25.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.331 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.9 p -74.46 -30.87 62.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -106.73 26.24 10.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.627 ' CE1' ' CD2' ' A' ' 24' ' ' LEU . 2.1 t-160 -50.8 -176.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HD3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -93.26 -18.55 22.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.4 -32.6 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.3 p -66.28 -37.38 85.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -51.95 134.77 31.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -51.63 -38.13 53.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -58.58 -43.28 89.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.76 162.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 37' ' ' VAL . 86.0 mt-30 -151.94 161.35 42.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.515 HG13 ' CG ' ' A' ' 11' ' ' TRP . 1.7 m -33.57 -49.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.08 -59.0 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -42.3 -59.56 1.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 18' ' ' LEU . 44.6 tp -62.42 -25.13 67.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.53 -20.67 43.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.079 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -81.58 -53.63 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.3 t -50.21 -25.08 3.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' ARG . 36.2 mt -101.61 -31.73 10.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 44' ' ' LEU . 16.5 ttt180 -37.25 -45.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -54.03 -50.19 67.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.91 26.81 7.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.5 t -102.12 -35.93 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 111.132 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 52' ' ' GLN . 45.5 tp -82.35 -49.72 9.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -37.43 -52.83 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.464 ' CB ' HD11 ' A' ' 62' ' ' ILE . 6.5 m -55.37 -42.55 74.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' LEU . 32.8 mt-30 -53.9 -50.46 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 52' ' ' GLN . 43.6 tp -36.16 -65.55 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.537 HD12 ' CD1' ' A' ' 85' ' ' PHE . 45.4 mt -52.12 -45.93 65.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -56.13 -30.57 62.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -75.45 -43.65 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.2 mt -68.62 -55.74 10.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.1 ttt85 -115.45 157.55 23.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.0 145.24 24.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 61.95 33.64 17.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.5 m -78.37 -44.57 24.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 63' ' ' ASN . 61.1 mt -147.85 144.57 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.156 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.466 ' N ' HG23 ' A' ' 62' ' ' ILE . 17.6 t-20 -95.45 110.9 22.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.447 ' HA ' ' CG1' ' A' ' 67' ' ' ILE . 95.0 mt -48.67 -43.91 37.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -54.67 -39.94 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -65.59 -24.57 67.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' A' ' 64' ' ' LEU . 15.0 pt -106.11 134.94 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.901 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.532 ' HG3' ' CZ ' ' A' ' 107' ' ' PHE . 38.0 tt0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.854 0.359 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -66.02 -58.6 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.3 mt -55.92 -47.94 76.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.0 m -55.19 -62.64 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.0 mt -46.81 -45.71 20.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -53.55 55.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -46.74 -58.32 3.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.7 mt -43.9 -50.33 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mtp-105 -51.9 -44.43 63.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.1 m -51.67 -50.19 60.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.537 ' CD1' HD12 ' A' ' 54' ' ' LEU . 23.9 t80 -58.81 -66.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.556 HD23 ' CE1' ' A' ' 101' ' ' PHE . 30.1 mt -38.05 -37.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 85.5 m -63.4 -54.26 39.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.02 -42.03 60.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 69.7 m -48.47 -21.77 0.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 9.6 t -113.32 -27.08 8.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.18 -54.18 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.8 m -72.63 -48.19 41.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -94.56 -69.28 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.92 56.15 0.59 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 12.1 ptm -104.46 172.76 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.722 0.296 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -65.05 116.76 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -58.48 -43.65 89.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.8 p -48.24 -34.68 10.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -66.56 -42.84 86.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.7 mt -47.96 168.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.556 ' CE1' HD23 ' A' ' 86' ' ' LEU . 37.4 p90 -97.01 176.83 5.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -92.84 142.7 27.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.82 -56.75 10.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 105' ' ' ASP . 7.6 t80 -59.1 -54.02 51.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -34.68 -43.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 33.5 tp -80.99 -44.26 18.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.532 ' CZ ' ' HG3' ' A' ' 75' ' ' GLN . 20.5 t80 -54.28 -56.3 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.77 18.66 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.0 t 39.11 36.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -56.45 -65.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -131.27 89.02 2.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -61.95 -39.37 91.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.88 -37.29 4.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -64.02 -37.21 86.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 37.3 t -71.2 -40.43 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.6 -48.58 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -52.1 -49.69 63.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 93.9 m -41.14 -50.22 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.9 mt -60.64 -44.15 96.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.0 t -49.96 -42.07 47.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -78.22 -40.87 36.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.2 tp -57.83 -34.28 69.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.8 p -59.56 -29.7 68.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 124' ' ' ARG . 5.4 mmm180 -60.16 -40.23 89.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 82.5 p -38.42 149.61 0.21 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.564 0.697 . . . . 0.0 111.153 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 1.62 4.28 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.633 2.222 . . . . 0.0 112.352 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.0 mp -97.31 -42.23 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.47 -39.77 81.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 49.7 mt -75.56 -36.25 60.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -46.29 -43.88 16.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 35.7 p -63.85 -37.29 86.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.6 27.22 11.84 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 134' ' ' ARG . 66.0 mt -85.38 142.14 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 133' ' ' ILE . 67.0 mtp180 -34.02 97.07 0.11 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.199 0 C-N-CA 122.639 2.226 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.122 0 CA-C-O 120.767 0.236 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.536 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 6.8 p-90 -87.15 -37.97 16.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -48.97 -49.65 39.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -71.31 -43.61 66.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.8 t -43.87 -50.37 7.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -38.6 -44.14 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -56.58 -66.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.549 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 25.3 t90 -39.02 -44.94 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.465 ' CD1' HD12 ' A' ' 40' ' ' LEU . 51.9 mt -57.5 -53.82 53.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.1 mt -53.57 -40.77 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -74.17 -32.6 63.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.549 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 87.9 m -71.11 -0.54 9.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp 67.82 49.29 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.413 HG22 ' N ' ' A' ' 24' ' ' LEU . 27.8 m -125.13 -27.04 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.556 HD23 ' CE1' ' A' ' 28' ' ' HIS . 91.2 mt -133.77 151.94 77.9 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.492 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.6 Cg_endo -69.8 163.8 36.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.4 p -71.62 -29.7 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -105.56 21.71 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.556 ' CE1' HD23 ' A' ' 24' ' ' LEU . 2.3 t-160 -48.24 170.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.786 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -77.41 -43.72 31.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 m -51.26 -31.08 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 p -63.04 -42.39 99.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 14.3 m95 -49.57 128.38 17.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -48.97 -39.09 25.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.807 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 m -56.31 -40.39 74.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.414 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -46.5 163.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' VAL . 34.6 mt-30 -149.42 165.65 31.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.536 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 2.5 m -36.08 -51.26 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -46.84 -60.01 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.2 -59.98 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' A' ' 18' ' ' LEU . 33.4 tp -63.37 -27.4 69.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.56 -21.41 57.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -81.68 -55.72 4.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.2 t -48.41 -22.92 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.3 mt -104.14 -29.74 10.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -40.01 -41.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -57.26 -47.01 82.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.23 20.15 26.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.1 t -97.76 -31.22 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 111.095 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.4 tp -80.04 -45.52 18.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -40.27 -57.48 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 67.9 m -50.12 -42.85 51.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -56.32 -46.21 79.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.0 tp -42.76 -64.18 0.66 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.505 HD22 ' CE1' ' A' ' 93' ' ' PHE . 81.8 mt -55.71 -44.01 77.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 60.1 m-20 -60.53 -24.07 65.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -80.7 -45.11 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.1 mt -68.95 -51.4 40.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -116.9 157.77 25.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.18 140.03 30.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.6 m170 64.84 33.8 9.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -76.8 -45.88 27.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.453 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 68.5 mt -147.92 135.76 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 65' ' ' LYS . 22.8 t-20 -82.24 118.6 23.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.414 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 88.7 mt -55.14 -44.96 75.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.497 ' HD3' ' N ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -56.62 -35.16 67.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.85 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.95 -27.11 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.414 ' CG1' ' O ' ' A' ' 64' ' ' LEU . 21.5 pt -101.46 130.05 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.509 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 43.0 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.861 0.362 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -71.59 -47.27 55.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.84 -51.59 68.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 93.4 m -57.98 -61.43 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.9 mt -45.84 -46.29 15.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.52 -57.17 11.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -44.0 -61.68 1.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 87.9 mt -38.93 -55.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -47.01 -46.59 21.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.1 m -48.14 -41.44 26.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -66.26 -62.4 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.0 mt -45.62 -30.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.9 m -65.81 -56.08 13.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -55.02 -35.69 64.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.58 -21.56 17.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 44.8 t -112.4 -28.73 7.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -89.18 -54.0 4.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 88' ' ' ALA . 71.3 m -68.68 -58.15 4.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.505 ' CE1' HD22 ' A' ' 54' ' ' LEU . 6.6 m-85 -88.71 -66.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.59 60.51 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 25.2 ptm -104.68 165.78 10.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 96' ' ' ARG . 0.5 OUTLIER -56.91 101.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -50.21 -31.04 12.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.2 t -61.61 -31.17 71.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.421 ' CD ' ' HB2' ' A' ' 96' ' ' ARG . 45.5 mt-10 -71.39 -41.31 69.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.9 mt -45.89 165.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.478 ' CG ' HG21 ' A' ' 115' ' ' VAL . 54.0 p90 -98.13 -176.89 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -101.69 132.02 47.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -47.32 -43.92 23.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 105' ' ' ASP . 13.4 t80 -59.98 -62.4 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 104' ' ' PHE . 43.2 m-20 -34.75 -43.04 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 25.5 tp -70.87 -60.18 2.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.509 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 23.1 t80 -48.99 -58.57 4.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -77.56 4.16 11.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 13.7 t 41.29 50.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.075 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 110' ' ' ARG . 9.7 mtp-105 -77.5 -60.82 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.44 86.57 2.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -64.52 -40.21 95.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.83 -32.95 2.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -68.1 -37.73 81.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.478 HG21 ' CG ' ' A' ' 101' ' ' PHE . 42.3 t -68.98 -39.41 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 mt -59.39 -49.95 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -52.55 -47.58 66.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 96.8 m -42.78 -41.4 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.8 mt -73.29 -41.29 63.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 65.8 m -49.33 -38.75 29.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 37.7 mtt85 -81.85 -46.61 13.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.6 tp -45.29 -45.12 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 95.7 p -46.15 -34.65 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -52.28 -41.56 62.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 72.9 p -39.43 148.17 0.29 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -0.51 7.01 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.9 mp -94.67 -40.74 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.89 -42.32 73.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.1 mt -70.67 -38.26 73.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.2 -45.1 5.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 38.4 p -61.66 -37.51 84.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.61 26.15 12.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' A' ' 134' ' ' ARG . 56.3 mt -85.17 138.11 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 111.121 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 133' ' ' ILE . 65.5 mtp85 -32.77 96.13 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.25 . . . . 0.0 112.341 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.757 0.232 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.407 ' CZ2' ' HA ' ' A' ' 36' ' ' GLN . 7.5 p-90 -94.17 -29.16 15.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.402 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 17.8 mmtt -57.2 -42.53 81.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -80.31 -37.04 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.1 t -51.98 -48.42 64.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -39.81 -44.99 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -54.28 -63.59 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 16.7 t90 -42.57 -43.71 3.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 40' ' ' LEU . 95.6 mt -59.89 -52.42 65.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.6 mt -56.96 -37.89 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.439 ' HB3' ' CG2' ' A' ' 133' ' ' ILE . 20.2 m-70 -80.22 -24.54 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 57.4 m -79.69 11.38 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? 56.97 46.85 18.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 34.9 m -125.29 -26.96 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.589 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 89.0 mt -136.56 148.95 65.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.548 0.69 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.453 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.78 160.76 48.51 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.725 2.283 . . . . 0.0 112.348 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.6 p -70.34 -26.76 63.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -107.8 20.19 19.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.589 ' CE1' ' CD2' ' A' ' 24' ' ' LEU . 2.4 t-160 -46.49 170.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -78.01 -23.52 48.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 m -76.92 -12.9 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -80.74 -23.58 39.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -69.96 139.48 52.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -31.93 62.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.5 t -64.15 -32.11 73.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.824 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.412 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -62.75 159.57 16.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' VAL . 58.1 mt-30 -148.61 173.12 13.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 36' ' ' GLN . 2.7 m -36.18 -47.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -50.3 -62.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -40.18 -58.11 1.55 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 18' ' ' LEU . 56.5 tp -67.82 -20.95 65.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.512 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . . . -85.65 -11.53 53.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -87.74 -55.7 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.463 HG21 ' N ' ' A' ' 44' ' ' LEU . 5.9 t -47.08 -23.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.463 ' N ' HG21 ' A' ' 43' ' ' THR . 10.7 mt -99.52 -32.04 11.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -38.36 -42.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -61.4 -46.91 88.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.8 24.85 11.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.4 t -100.41 -29.86 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.843 0.354 . . . . 0.0 111.094 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' GLN . 38.7 tp -85.08 -54.13 4.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 49' ' ' LEU . 10.5 mt -35.17 -56.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.6 m -50.62 -44.19 57.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.0 mt-30 -53.87 -48.77 69.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.5 tp -40.62 -63.03 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.424 HD12 ' CD1' ' A' ' 85' ' ' PHE . 36.8 mt -54.09 -39.35 66.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -66.25 -24.89 66.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -79.5 -43.91 22.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.3 mt -69.79 -56.09 8.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.1 ttt85 -114.07 151.86 31.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.69 145.18 26.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 60.73 34.09 20.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 m -77.58 -45.99 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.6 mt -146.52 130.06 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -77.85 109.55 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 97.3 mt -49.85 -37.91 32.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 11.2 mptt -62.43 -37.56 86.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -65.17 -27.94 69.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.9 pt -101.24 138.07 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.9 p30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.894 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.793 0.33 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -63.61 -63.57 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.6 mt -54.79 -54.71 38.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 64.4 m -48.43 -55.49 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.3 mt -54.43 -45.68 73.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -57.36 -59.55 4.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.809 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' LYS . 30.0 m-20 -37.15 -59.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.5 mt -45.12 -50.44 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -55.08 -47.68 74.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 39.4 m -50.77 -37.2 40.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.464 ' CD2' ' N ' ' A' ' 86' ' ' LEU . 1.8 t80 -74.81 -60.08 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 85' ' ' PHE . 19.8 mt -42.44 -37.17 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 24.2 m -68.44 -50.85 49.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.98 -35.12 58.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.0 m -55.24 -14.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 91' ' ' GLU . 0.8 OUTLIER -119.07 -40.7 2.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.429 ' N ' ' SG ' ' A' ' 90' ' ' CYS . 12.2 mt-10 -72.04 -42.47 66.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 93.7 m -84.75 -48.88 8.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -94.01 -66.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.87 59.25 0.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 25.9 mtp -108.9 163.72 13.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.771 0.32 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.3 mmp_? -58.52 101.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.422 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 12.4 mtmm -44.15 -24.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 94.1 p -65.85 -43.25 89.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -59.4 -30.34 68.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.422 ' CD1' ' HA ' ' A' ' 97' ' ' LYS . 34.1 mt -55.97 166.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -103.89 164.02 11.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.456 ' N ' ' OD2' ' A' ' 105' ' ' ASP . 11.6 tt0 -70.35 153.09 43.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.6 -21.33 60.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 21.0 t80 -90.3 -51.25 5.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.456 ' OD2' ' N ' ' A' ' 102' ' ' GLU . 0.6 OUTLIER -38.15 -39.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.0 tp -77.82 -49.38 14.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -53.78 -58.35 7.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -79.25 2.89 19.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.1 t 50.33 35.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -56.44 -67.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -130.53 92.45 3.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.512 ' CD1' ' HB3' ' A' ' 41' ' ' ALA . 13.9 t80 -62.13 -33.41 74.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -47.53 -36.15 11.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -68.1 -35.37 78.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.1 t -72.31 -36.67 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.64 -53.59 37.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -45.71 -50.69 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.5 m -44.96 -46.08 10.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.15 -36.72 82.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.9 p -54.07 -40.32 67.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -80.92 -48.95 11.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.7 tp -40.07 -51.34 2.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 94.5 p -42.7 -41.45 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -45.06 -41.15 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 77.6 p -40.08 147.33 0.36 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.545 0.688 . . . . 0.0 111.129 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -0.55 7.02 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.71 2.274 . . . . 0.0 112.346 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.7 mp -94.99 -35.75 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.2 -44.84 51.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 42.7 mt -69.36 -39.1 78.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.52 -49.23 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.0 p -57.24 -36.67 71.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.74 22.34 21.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.439 ' CG2' ' HB3' ' A' ' 20' ' ' HIS . 55.7 mt -81.91 143.73 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -41.14 101.75 0.25 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.354 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.778 0.241 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.552 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 5.9 p-90 -82.21 -36.61 27.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -52.47 -49.39 64.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -69.68 -43.47 72.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.3 t -47.71 -39.88 18.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.8 -46.12 30.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -55.33 -64.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.54 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 36.2 t90 -39.27 -44.03 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 27.4 mt -58.38 -48.92 79.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 66.7 mt -57.27 -43.82 82.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -71.22 -31.43 67.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.54 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 56.2 m -69.6 -1.84 9.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.1 mmtt 68.9 49.26 0.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.458 HG22 ' N ' ' A' ' 24' ' ' LEU . 34.0 m -127.24 -29.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.57 HD23 ' CE1' ' A' ' 28' ' ' HIS . 82.5 mt -131.31 150.92 77.82 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.47 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.77 147.13 62.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.0 p -59.57 -25.58 64.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -110.22 25.45 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.57 ' CE1' HD23 ' A' ' 24' ' ' LEU . 2.9 t-160 -52.31 -179.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -84.0 -40.37 18.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.409 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . 16.3 m -55.05 -26.33 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.7 p -68.05 -30.53 69.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -63.26 125.3 23.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -42.7 -35.26 1.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.4 t -60.18 -40.31 89.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.409 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . . . -45.99 157.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.075 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' VAL . 40.2 mt-30 -144.51 163.41 33.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.552 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 2.4 m -36.14 -47.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.441 ' CE1' HG23 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -51.7 -60.48 3.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -42.28 -58.74 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.9 tp -64.39 -20.19 65.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.44 ' HB2' ' CD1' ' A' ' 112' ' ' PHE . . . -84.48 -20.68 31.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -81.23 -46.29 15.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.8 t -54.87 -20.75 9.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' ARG . 15.1 mt -106.4 -32.26 8.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 44' ' ' LEU . 19.1 ttt180 -35.63 -48.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.89 -53.35 53.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.98 20.49 10.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.4 t -95.75 -28.93 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 111.149 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.2 tp -85.45 -54.88 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' LEU . 13.0 mt -34.6 -59.4 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 54.8 m -47.23 -41.88 19.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' LEU . 25.1 mt-30 -57.53 -51.53 69.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' GLN . 46.3 tp -35.66 -57.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.526 HD11 ' CD2' ' A' ' 85' ' ' PHE . 74.9 mt -60.43 -43.33 96.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -60.28 -21.92 62.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -81.26 -41.76 21.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.5 mt -73.29 -54.27 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -116.67 152.78 33.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.14 148.55 25.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.8 m170 57.43 33.38 23.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.6 m -75.17 -41.81 57.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 57.0 mt -148.98 133.28 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' GLU . 46.3 t-20 -80.84 101.94 9.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.2 mt -42.42 -34.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -66.82 -38.41 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 63' ' ' ASN . 16.6 mt-10 -66.11 -16.89 64.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.1 pt -114.63 141.35 31.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.836 0.35 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -69.46 -53.4 19.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.0 -45.29 94.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 41.1 m -60.32 -63.61 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.4 mt -43.12 -49.51 6.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -51.19 70.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -45.57 -60.59 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 68.3 mt -42.88 -47.97 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.2 mtt-85 -59.36 -43.81 92.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.2 m -51.87 -38.08 54.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.526 ' CD2' HD11 ' A' ' 54' ' ' LEU . 3.7 t80 -71.37 -52.32 19.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.7 mt -51.24 -30.2 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.4 m -67.87 -52.35 37.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.42 -34.02 66.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.9 m -61.56 -13.29 20.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 98.5 m -118.65 -23.82 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -93.69 -55.76 3.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.3 m -66.79 -59.89 3.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -85.2 -62.1 1.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.77 66.48 0.67 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 53.7 mtp -106.88 177.81 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.745 0.307 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -77.89 116.32 18.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -57.72 -31.77 66.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.9 m -66.9 -18.21 65.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -87.72 -37.23 16.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.2 mt -51.64 158.79 0.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.446 ' CD2' HG22 ' A' ' 115' ' ' VAL . 34.4 p90 -91.59 159.79 15.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -66.07 -178.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -94.63 -38.73 10.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.642 ' CZ ' ' CG ' ' A' ' 108' ' ' ASP . 8.8 t80 -74.47 -45.55 45.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' PHE . 3.3 p-10 -37.42 -41.55 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.8 tp -83.95 -52.01 6.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -46.64 -58.13 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.642 ' CG ' ' CZ ' ' A' ' 104' ' ' PHE . 1.2 m-20 -85.2 18.12 2.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.441 HG23 ' CE1' ' A' ' 38' ' ' PHE . 3.6 t 35.41 41.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -69.43 -68.7 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -119.21 84.76 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 41' ' ' ALA . 25.2 t80 -65.05 -37.32 87.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -47.81 -39.01 16.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -61.67 -35.73 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.446 HG22 ' CD2' ' A' ' 101' ' ' PHE . 38.5 t -72.34 -39.35 63.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 44.8 mt -58.24 -51.21 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.34 -40.82 75.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.0 m -45.79 -37.34 5.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 120' ' ' SER . 40.5 mt -73.99 -47.84 34.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 119' ' ' LEU . 8.6 t -34.87 -46.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.498 ' O ' ' CD ' ' A' ' 124' ' ' ARG . 62.8 mtt-85 -72.69 -59.68 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 2.8 tp -42.04 -25.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 121' ' ' ARG . 3.8 p -79.6 15.55 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.498 ' CD ' ' O ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -110.41 -17.83 13.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 78.0 p -60.35 153.48 58.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 111.152 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.65 3.71 2.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.4 mp -107.18 -30.65 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.01 -37.08 55.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 132' ' ' GLY . 37.9 mt -78.07 -40.84 37.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -39.11 -38.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.7 p -64.82 -39.38 93.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 96.23 28.52 9.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.446 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 134' ' ' ARG . 30.2 mt -87.67 139.55 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 133' ' ' ILE . 89.8 mtt180 -34.13 97.11 0.11 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.568 0.699 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 133' ' ' ILE . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.172 0 C-N-CA 122.739 2.293 . . . . 0.0 112.355 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.747 0.228 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.519 ' CD1' HG11 ' A' ' 37' ' ' VAL . 5.6 p-90 -88.87 -37.08 15.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.465 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 3.8 mmmp? -55.54 -47.57 76.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -70.52 -47.81 58.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.1 t -41.31 -42.16 2.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.73 -49.61 14.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -51.93 -61.79 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.534 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 29.2 t90 -46.21 -40.53 11.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.408 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 20.6 mt -63.03 -49.55 74.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.2 mt -57.45 -38.09 61.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -78.54 -29.57 46.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.534 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 52.4 m -71.49 0.88 7.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm 67.57 48.98 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 24' ' ' LEU . 33.8 m -127.97 -30.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.559 HD22 ' CE1' ' A' ' 28' ' ' HIS . 86.8 mt -129.79 148.03 67.83 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.625 0.726 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.443 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 54.1 Cg_endo -69.73 158.29 57.49 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.694 2.262 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.1 p -69.32 -23.5 63.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -111.14 22.04 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.559 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.4 t-80 -48.94 178.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.27 -6.9 43.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 m -87.15 -12.81 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.4 p -84.58 -21.61 30.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -66.66 130.09 42.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -45.05 -52.25 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 p -47.79 -34.87 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.404 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -46.47 160.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.08 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.404 ' HG3' ' C ' ' A' ' 35' ' ' ALA . 52.6 mt-30 -147.33 163.1 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.519 HG11 ' CD1' ' A' ' 11' ' ' TRP . 2.8 m -37.25 -48.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 12.1 t80 -47.58 -62.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' PHE . 1.4 m-20 -36.04 -58.91 0.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.4 tp -66.52 -29.59 69.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.564 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . . . -74.57 -20.65 59.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.091 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.638 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 44.5 mt-30 -78.99 -61.35 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.1 t -43.28 -23.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 42' ' ' GLN . 12.5 mt -105.92 -26.55 11.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 34.8 ttt180 -43.52 -36.53 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -67.81 -55.73 11.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.15 32.88 2.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.482 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.3 t -106.43 -30.63 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 52' ' ' GLN . 17.6 tp -85.52 -54.34 4.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.6 mt -34.36 -58.58 0.47 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 85.4 m -48.87 -41.97 35.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' LEU . 23.4 mt-30 -58.2 -52.18 66.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' GLN . 58.4 tp -34.22 -65.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 85' ' ' PHE . 59.8 mt -53.97 -46.83 71.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 73.9 m-20 -55.46 -30.77 61.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -74.83 -43.77 52.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.1 mt -67.68 -58.34 4.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -113.86 157.98 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.8 144.56 25.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 62.26 33.76 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -79.57 -45.19 19.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.444 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 65.9 mt -148.56 128.98 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -82.0 114.61 20.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 95.9 mt -52.57 -36.49 55.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -63.49 -36.86 85.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.62 -26.51 67.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 21.3 pt -102.58 138.92 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.457 ' OD1' ' ND2' ' A' ' 81' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.417 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 27.3 tt0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.817 0.342 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -80.32 -58.75 2.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.3 mt -52.29 -54.42 31.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.6 m -50.7 -66.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.2 mt -49.18 -39.57 29.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -56.9 15.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.457 ' ND2' ' OD1' ' A' ' 68' ' ' ASN . 40.4 m-20 -49.2 -63.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.422 ' CD1' HD21 ' A' ' 106' ' ' LEU . 85.0 mt -36.84 -58.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.181 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -43.68 -48.96 7.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.9 m -46.22 -44.96 16.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.444 ' CD1' HD13 ' A' ' 54' ' ' LEU . 2.8 t80 -62.25 -55.74 25.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.96 -28.46 16.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 37.2 m -73.75 -49.17 26.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.18 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.1 -32.88 71.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.78 -22.71 62.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.9 t -110.32 -22.27 11.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -92.13 -54.43 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.1 m -75.05 -46.55 34.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 122' ' ' LEU . 9.5 m-85 -93.23 -70.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 116.81 53.59 0.33 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 15.3 mtm -100.94 159.21 15.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.327 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -67.71 129.71 40.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -63.64 -32.52 74.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.5 m -66.71 -17.45 64.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -87.31 -35.38 18.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.7 mt -57.96 176.03 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.484 ' CD2' ' HA ' ' A' ' 115' ' ' VAL . 38.7 p90 -104.91 169.02 8.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 103' ' ' ALA . 13.1 tp10 -85.62 120.11 26.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 102' ' ' GLU . . . -34.5 -47.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.078 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 105' ' ' ASP . 13.2 t80 -59.34 -56.73 18.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 104' ' ' PHE . 55.7 m-20 -34.79 -38.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 82' ' ' ILE . 16.5 tp -79.99 -56.46 4.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.417 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 9.9 t80 -48.18 -67.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -69.59 -10.62 58.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 40.0 t 62.0 48.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -71.7 -63.78 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -130.41 100.02 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 41' ' ' ALA . 29.5 t80 -68.83 -43.15 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.34 -33.02 1.93 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -66.73 -37.52 84.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.484 ' HA ' ' CD2' ' A' ' 101' ' ' PHE . 41.2 t -73.47 -37.9 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 56.4 mt -62.36 -46.09 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 118' ' ' THR . 8.9 tp10 -51.73 -56.99 10.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 117' ' ' GLU . 59.8 m -36.19 -47.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.452 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 14.1 mt -67.82 -48.94 64.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 62.4 m -43.15 -42.9 4.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 4.1 ptp180 -83.37 -45.8 13.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.561 HD11 ' CD2' ' A' ' 93' ' ' PHE . 16.3 tp -40.08 -45.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.465 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 84.1 p -44.63 -43.31 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 125' ' ' THR . 0.4 OUTLIER -42.01 -38.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.462 ' N ' ' HD2' ' A' ' 124' ' ' ARG . 60.3 p -44.82 148.94 0.87 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 111.148 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 1.56 4.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.313 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.4 mp -95.33 -48.54 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -61.29 -47.36 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 29.7 mt -68.29 -36.26 79.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -45.76 -49.24 15.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.7 p -56.79 -36.59 70.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 97.86 22.57 15.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 63.4 mt -81.57 145.51 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 111.138 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 44.3 mmt-85 -47.87 107.55 0.76 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.563 0.697 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.358 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.181 0 CA-C-O 120.736 0.223 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.568 ' CH2' ' HE2' ' A' ' 12' ' ' LYS . 48.1 p-90 -72.09 -42.55 66.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.568 ' HE2' ' CH2' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -34.21 -56.3 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -68.48 -42.47 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.0 t -45.23 -50.62 11.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -38.46 -51.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -47.67 -63.66 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.545 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 20.6 t90 -44.75 -47.95 10.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.455 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 27.3 mt -55.95 -51.7 66.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.6 mt -55.21 -42.64 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -74.84 -27.95 60.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 61.9 m -73.65 3.31 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp 65.7 45.06 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 34.8 m -123.25 -28.27 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.618 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 85.3 mt -134.48 151.49 76.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.507 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.73 168.55 21.2 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.405 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.5 p -76.24 -30.33 57.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -106.23 23.37 14.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.618 ' CE1' ' CD2' ' A' ' 24' ' ' LEU . 1.9 t-160 -48.55 169.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . 4.8 ptp180 -74.91 -45.97 39.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 26.7 m -48.61 -37.0 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.3 p -53.62 -47.44 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -53.35 126.04 19.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.12 -52.24 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.3 m -38.87 -40.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.404 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -53.58 161.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.095 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' VAL . 63.6 mt-30 -149.15 164.2 35.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.567 HG12 ' CD1' ' A' ' 11' ' ' TRP . 1.8 m -33.79 -48.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.98 -61.33 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -42.75 -60.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.448 HD13 ' CD1' ' A' ' 18' ' ' LEU . 46.8 tp -59.62 -29.73 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.498 ' HB1' ' CD1' ' A' ' 112' ' ' PHE . . . -73.91 -26.85 60.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' LEU . 26.5 mt-30 -74.3 -59.42 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -42.62 -24.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 45' ' ' ARG . 6.4 mt -104.81 -31.76 9.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 44' ' ' LEU . 12.8 ttt180 -36.46 -43.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -58.0 -50.44 73.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.15 26.35 7.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.465 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.1 t -101.72 -33.61 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.8 tp -81.85 -45.36 15.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -40.89 -57.99 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 68.9 m -50.22 -43.09 52.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -56.02 -46.36 78.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.0 tp -41.18 -64.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.7 mt -55.6 -45.85 77.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -56.79 -29.31 62.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -75.95 -44.82 38.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.74 -56.41 9.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -114.24 158.99 20.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.08 143.91 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 62.24 34.87 15.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.9 m -78.82 -42.4 27.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 58.8 mt -151.73 128.1 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -78.06 108.22 11.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.9 mt -45.34 -37.81 5.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -61.49 -38.18 86.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -64.52 -26.89 68.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.8 pt -100.65 137.69 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 11.3 tt0 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -65.06 -44.3 89.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.2 mt -67.18 -57.84 5.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.9 m -49.42 -59.72 3.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.4 mt -46.71 -47.37 20.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -60.16 4.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -38.48 -61.61 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 71.2 mt -41.05 -53.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.115 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -51.86 -51.59 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.8 m -42.5 -45.07 4.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 86' ' ' LEU . 2.4 t80 -64.22 -57.34 9.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.477 HD21 ' CE1' ' A' ' 101' ' ' PHE . 18.2 mt -50.3 -29.93 10.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 24.7 m -70.14 -48.27 58.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.09 -36.35 74.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.66 -16.6 27.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.3 t -113.84 -27.81 7.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -90.71 -52.87 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.5 m -72.08 -50.52 27.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.405 ' CE2' HD13 ' A' ' 122' ' ' LEU . 15.8 m-85 -85.94 -65.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 119.61 37.39 0.78 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 14.4 mtm -95.01 159.14 15.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -69.46 -178.26 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -110.19 -27.39 9.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.0 t -58.77 -23.81 60.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -92.19 -27.43 17.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.65 169.67 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.558 ' CD2' HG23 ' A' ' 115' ' ' VAL . 39.4 p90 -111.05 154.5 24.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -61.58 175.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.27 -33.71 14.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.433 ' O ' ' C ' ' A' ' 105' ' ' ASP . 27.7 t80 -75.71 -54.16 7.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 104' ' ' PHE . 30.1 p-10 -34.37 -41.64 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 tp -79.1 -44.55 21.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 29.1 t80 -55.02 -52.78 62.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.88 16.78 8.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.45 ' O ' ' CG1' ' A' ' 109' ' ' VAL . 43.6 t 41.87 36.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -59.18 -54.56 45.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -143.21 114.48 7.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.498 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 24.5 t80 -84.41 -40.39 17.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.88 -34.06 2.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.458 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -69.09 -38.6 79.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.558 HG23 ' CD2' ' A' ' 101' ' ' PHE . 40.3 t -69.75 -40.44 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 57.6 mt -58.11 -52.57 56.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -47.36 -45.4 24.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.4 m -48.08 -48.3 33.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.28 -43.62 92.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.4 t -51.35 -42.59 61.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -75.27 -30.16 60.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.405 HD13 ' CE2' ' A' ' 93' ' ' PHE . 24.8 tp -69.14 -54.12 16.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.4 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 28.9 p -43.06 -44.75 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -46.34 -41.3 13.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 62.4 p -40.54 150.63 0.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.583 0.706 . . . . 0.0 111.173 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.96 22.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.3 mp -86.3 -40.05 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.4 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -69.45 -43.94 72.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 43.7 mt -70.34 -36.43 74.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.48 -47.98 5.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.3 p -56.47 -36.17 68.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 98.96 23.3 11.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 56.0 mt -84.45 137.69 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -47.91 115.84 4.24 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.623 0.725 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.347 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.769 0.237 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.572 ' CZ2' ' HE3' ' A' ' 12' ' ' LYS . 37.7 p-90 -63.16 -37.58 87.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.572 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 4.8 mmpt? -34.76 -68.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -55.79 -45.55 78.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.3 t -45.74 -49.05 15.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.3 -50.47 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -52.04 -62.22 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.531 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 30.7 t90 -45.06 -44.67 10.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 40' ' ' LEU . 64.6 mt -56.59 -54.35 46.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.3 mt -52.91 -44.76 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -69.57 -33.12 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.531 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 74.7 m -68.9 -3.46 12.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt 70.69 48.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.6 m -124.46 -29.51 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.562 HD23 ' CE1' ' A' ' 28' ' ' HIS . 51.2 mt -133.32 151.66 77.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.492 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.4 Cg_endo -69.75 171.45 14.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.691 2.26 . . . . 0.0 112.322 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.9 p -79.91 -24.04 41.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -110.29 23.35 14.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.562 ' CE1' HD23 ' A' ' 24' ' ' LEU . 1.9 t-80 -52.61 173.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -80.53 -41.58 23.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.4 m -50.87 -38.2 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.4 p -56.95 -43.88 82.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -50.93 134.13 26.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -53.63 -45.81 70.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.0 p -50.31 -24.82 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.52 157.35 36.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' VAL . 33.2 mt-30 -141.46 165.4 27.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.562 HG12 ' CD1' ' A' ' 11' ' ' TRP . 2.2 m -34.9 -45.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.686 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 11.4 t80 -48.39 -62.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -39.69 -55.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.457 HD11 ' CD1' ' A' ' 18' ' ' LEU . 64.3 tp -66.34 -23.85 66.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -81.9 -23.55 36.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.686 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 49.2 mt-30 -75.97 -49.67 17.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.3 t -54.83 -25.15 26.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' ARG . 14.4 mt -103.64 -28.41 11.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' LEU . 30.2 ttt180 -37.68 -41.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -63.96 -54.93 26.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.93 25.72 5.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.6 t -99.7 -37.49 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.119 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.9 tp -78.62 -46.38 19.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.8 mt -41.76 -46.72 3.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.7 m -61.79 -41.06 97.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 53' ' ' LEU . 25.1 mt-30 -56.68 -49.29 75.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' GLN . 35.7 tp -37.43 -61.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.483 HD22 ' CE1' ' A' ' 93' ' ' PHE . 78.7 mt -56.3 -40.27 74.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.07 -24.19 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -79.26 -44.78 21.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.4 mt -72.56 -54.51 8.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 1.7 ttp180 -111.47 162.48 15.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.65 143.6 29.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 63.56 25.53 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -70.1 -40.92 74.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.7 mt -152.42 127.43 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 66' ' ' GLU . 52.0 t-20 -80.46 109.94 15.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.0 mt -44.17 -33.51 1.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -66.23 -37.04 84.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' ASN . 8.3 mt-10 -66.15 -17.13 64.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.2 pt -113.35 128.75 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.944 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.856 0.36 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -77.98 -41.61 35.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.18 -64.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 68.9 m -43.65 -61.03 1.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.5 mt -43.3 -61.76 1.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -48.79 -58.4 4.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -38.51 -62.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.9 mt -39.81 -62.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -37.75 -49.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 51.8 m -45.9 -61.74 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -49.11 -50.68 36.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.5 mt -56.8 -34.42 67.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.1 m -69.4 -46.96 65.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.48 -35.85 74.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.9 m -60.75 -14.72 23.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 45.3 t -113.44 -22.17 10.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -94.85 -55.07 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.46 ' CG2' ' HD3' ' A' ' 58' ' ' ARG . 87.8 m -70.8 -50.94 30.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.483 ' CE1' HD22 ' A' ' 54' ' ' LEU . 6.2 m-85 -92.27 -68.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.93 61.47 0.43 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 59.3 mtp -102.71 166.74 10.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -73.87 119.11 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -48.06 -35.22 10.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.6 t -64.19 -31.5 72.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -69.68 -38.16 76.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.43 177.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -112.32 166.93 10.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -80.73 132.59 35.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.58 -38.16 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' ASP . 17.8 t80 -68.01 -60.79 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 104' ' ' PHE . 7.5 m-20 -34.47 -42.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.4 tp -74.33 -47.36 34.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' PHE . 9.0 t80 -59.18 -58.5 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -78.28 7.55 6.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.2 t 40.81 47.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 12.4 mtp-105 -73.03 -58.88 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -131.21 95.24 3.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -68.14 -41.15 82.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.62 -36.1 1.55 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -64.87 -38.66 91.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 44.2 t -71.17 -36.33 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 50.8 mt -62.49 -53.44 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -51.23 -51.69 51.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 55.9 m -38.09 -48.52 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.5 mt -63.87 -47.44 80.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.0 t -45.37 -38.79 6.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 122' ' ' LEU . 89.1 mtt180 -79.77 -57.33 3.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 121' ' ' ARG . 14.4 tp -36.02 -45.08 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 78.7 p -44.48 -47.29 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -42.23 -36.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 70.1 p -47.28 146.69 3.03 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.616 0.722 . . . . 0.0 111.147 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 0.66 5.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.48 -38.89 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.04 -48.21 46.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.3 mt -65.54 -35.62 81.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.3 -51.77 6.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 29.5 p -53.87 -37.67 63.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 101.66 19.31 15.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 71.3 mt -76.67 135.74 26.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 0.0 111.15 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -44.06 121.73 3.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.737 0.224 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.59 ' CZ2' ' HE3' ' A' ' 12' ' ' LYS . 12.5 p-90 -76.87 -48.78 17.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.59 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 2.4 mmpt? -39.01 -58.07 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.495 ' OE1' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -65.72 -34.44 78.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.495 ' N ' ' OE1' ' A' ' 13' ' ' GLN . 36.6 t -53.64 -44.25 69.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.79 -48.18 10.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -49.21 -58.26 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.505 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 22.0 t90 -48.83 -46.33 41.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.466 ' CD1' HD12 ' A' ' 40' ' ' LEU . 85.7 mt -55.57 -52.86 62.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.1 mt -52.73 -42.97 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.08 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -71.24 -36.81 71.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.505 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 88.9 m -66.75 -4.35 8.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt 70.38 49.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 m -125.47 -27.35 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.089 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 28' ' ' HIS . 92.0 mt -132.28 147.74 66.92 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 0.0 110.942 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.479 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.9 Cg_endo -69.75 161.89 44.19 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.741 2.294 . . . . 0.0 112.35 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.8 p -70.06 -31.23 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -105.23 24.96 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.566 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.0 t-160 -51.58 173.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -83.08 -39.5 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.47 -33.08 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.8 p -59.47 -46.43 88.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -52.37 134.17 34.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.86 -50.33 26.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 m -40.34 -35.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.89 166.01 2.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 37' ' ' VAL . 81.3 mt-30 -152.09 165.26 35.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.502 HG11 ' CG ' ' A' ' 11' ' ' TRP . 1.9 m -33.87 -44.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.682 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 11.6 t80 -52.35 -62.29 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 38' ' ' PHE . 3.7 t0 -36.77 -59.15 0.7 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 18' ' ' LEU . 43.3 tp -61.76 -32.42 72.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -74.33 -22.85 59.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.052 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.682 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 41.5 mt-30 -78.25 -57.25 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.2 t -47.14 -23.02 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.5 mt -103.89 -30.66 10.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' LEU . 29.3 ttt180 -37.45 -37.42 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.52 -47.79 80.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 98.85 23.05 12.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.8 t -101.63 -32.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 111.095 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 52' ' ' GLN . 61.2 tp -81.27 -54.03 5.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.438 ' CD1' HD21 ' A' ' 106' ' ' LEU . 12.8 mt -35.22 -52.93 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 57.0 m -55.08 -42.62 73.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 49' ' ' LEU . 31.0 mt-30 -53.7 -45.54 70.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.4 tp -43.26 -61.84 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.4 mt -54.44 -40.79 68.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 71.1 m-20 -63.97 -25.57 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -77.55 -47.99 18.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.24 -55.08 24.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.9 ttt85 -116.92 157.43 25.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.26 143.91 26.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 61.52 35.84 17.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.7 m -79.96 -44.2 20.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.458 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 52.9 mt -146.32 120.94 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -71.5 108.68 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.1 mt -47.68 -35.81 10.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -63.52 -34.16 77.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -68.15 -23.19 64.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.5 pt -105.47 134.15 47.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.809 0.337 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -51.58 -50.27 60.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.39 -56.28 6.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.2 m -44.51 -56.98 3.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.5 mt -52.62 -48.06 66.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -55.63 -56.33 21.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -42.93 -59.29 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.7 mt -41.83 -61.02 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -40.31 -54.63 2.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.4 m -39.08 -57.51 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.148 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -53.89 -58.69 6.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.7 mt -51.17 -31.38 19.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.3 m -70.31 -57.8 4.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -48.09 -46.34 33.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 3.5 m -43.6 -23.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 88' ' ' ALA . 42.5 t -105.98 -25.06 12.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 88' ' ' ALA . 4.7 mt-10 -89.69 -57.33 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.7 m -68.4 -49.1 62.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.01 -67.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.77 57.55 0.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 74.2 mtp -98.63 -177.99 3.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.761 0.315 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -89.0 114.83 26.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -49.29 -38.58 27.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.2 t -54.62 -33.95 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -72.54 -37.6 68.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.8 mt -53.55 163.6 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.467 ' CE2' HG12 ' A' ' 115' ' ' VAL . 43.1 p90 -93.83 165.38 12.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.08 141.91 43.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.89 -30.88 62.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 105' ' ' ASP . 9.4 t80 -79.75 -55.51 4.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 104' ' ' PHE . 0.9 OUTLIER -34.66 -43.66 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.438 HD21 ' CD1' ' A' ' 50' ' ' LEU . 16.3 tp -75.08 -45.82 38.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 104' ' ' PHE . 9.7 t80 -58.92 -57.77 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' VAL . 1.1 m-20 -87.72 15.1 7.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' ASP . 5.6 t 35.32 50.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -78.33 -62.5 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 105' ' ' ASP . 1.1 m-20 -120.32 69.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -47.74 -33.82 7.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.69 -51.68 5.64 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -48.96 -34.52 13.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.467 HG12 ' CE2' ' A' ' 101' ' ' PHE . 17.0 t -75.15 -39.09 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 55.1 mt -67.08 -49.57 72.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -57.36 -51.69 68.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 55.3 m -39.44 -51.73 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.485 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 31.5 mt -57.02 -45.37 83.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.2 t -45.08 -45.13 10.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 32.1 mtt-85 -72.82 -53.41 11.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 123' ' ' SER . 10.5 tp -38.75 -52.26 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.464 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 60.5 p -37.55 -42.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 125' ' ' THR . 12.7 mmm180 -46.99 -46.3 21.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 124' ' ' ARG . 80.3 p -35.68 147.28 0.17 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 111.155 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -1.22 8.09 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.3 mp -97.08 -36.9 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -71.22 -40.78 70.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 132' ' ' GLY . 52.7 mt -73.87 -38.65 64.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.71 -46.88 3.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.2 p -60.63 -33.87 73.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 90.28 26.62 23.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 134' ' ' ARG . 41.2 mt -83.43 142.98 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 133' ' ' ILE . 36.1 mtp85 -33.78 96.92 0.11 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.773 0.239 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.54 ' CD1' HG11 ' A' ' 37' ' ' VAL . 6.4 p-90 -88.59 -31.0 18.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -55.84 -47.32 77.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -73.83 -41.64 62.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.1 t -50.75 -39.88 53.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.05 -47.09 33.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -53.0 -62.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.536 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 24.2 t90 -38.84 -46.83 1.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.423 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . 22.8 mt -57.27 -52.02 67.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 61.3 mt -54.6 -43.85 66.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -73.92 -28.09 61.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.536 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 50.5 m -73.19 2.37 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 66.02 45.87 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.445 HG23 ' N ' ' A' ' 24' ' ' LEU . 27.7 m -123.4 -28.27 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.564 HD22 ' CE1' ' A' ' 28' ' ' HIS . 88.0 mt -133.69 151.5 77.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.704 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.459 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.6 Cg_endo -69.7 157.25 61.15 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.367 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -66.52 -29.9 70.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -105.75 24.96 11.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.564 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.3 t-160 -52.67 -179.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -86.4 -33.64 20.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 m -64.08 -16.58 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.1 p -79.14 -26.79 42.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -66.6 138.27 57.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -56.76 -29.39 62.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.3 m -66.57 -30.38 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.44 159.52 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.467 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . 72.8 mt-30 -148.56 166.73 27.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.54 HG11 ' CD1' ' A' ' 11' ' ' TRP . 2.3 m -33.96 -48.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.54 -59.42 4.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.2 -58.28 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.8 tp -67.57 -18.17 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.517 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . . . -84.15 -27.58 28.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -75.12 -52.81 10.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.9 t -47.97 -25.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.4 mt -102.53 -29.31 11.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -41.31 -36.53 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -62.56 -53.51 53.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.78 24.24 7.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -102.47 -35.76 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 111.142 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.8 tp -78.0 -55.64 5.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.6 mt -35.28 -58.74 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.3 m -47.85 -42.23 25.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' LEU . 25.9 mt-30 -57.14 -51.88 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' GLN . 47.7 tp -34.54 -61.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.2 mt -57.91 -40.64 80.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' GLN . 71.0 m-20 -62.88 -23.74 67.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -80.83 -49.03 11.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.7 mt -64.37 -52.66 57.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 59' ' ' ALA . 19.6 ttt-85 -117.13 159.45 22.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.429 ' O ' ' NH1' ' A' ' 58' ' ' ARG . . . -93.79 147.09 23.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 61.74 26.01 15.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -69.84 -41.55 74.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 63' ' ' ASN . 32.9 mt -152.34 138.48 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.405 ' N ' HG23 ' A' ' 62' ' ' ILE . 39.3 t-20 -90.65 108.06 19.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.462 ' HA ' ' CG1' ' A' ' 67' ' ' ILE . 84.5 mt -45.51 -42.88 11.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HE2' ' N ' ' A' ' 65' ' ' LYS . 10.2 mmpt? -58.96 -33.16 70.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.65 -24.82 60.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.563 ' CG2' ' CG2' ' A' ' 84' ' ' THR . 15.2 pt -104.26 132.54 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.419 ' CG ' HD22 ' A' ' 77' ' ' LEU . 3.6 m-80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.795 0.331 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -46.15 -43.28 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.419 HD22 ' CG ' ' A' ' 68' ' ' ASN . 49.2 mt -73.02 -47.66 43.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 85.1 m -56.95 -64.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.1 mt -45.46 -59.8 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -49.1 -57.83 5.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -39.62 -57.75 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 71.9 mt -46.28 -58.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -45.92 -50.92 14.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.563 ' CG2' ' CG2' ' A' ' 67' ' ' ILE . 28.9 m -41.33 -44.35 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -65.12 -63.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.5 mt -45.56 -27.1 0.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.8 m -71.69 -52.79 16.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.67 -25.88 65.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 70.8 m -60.81 -27.79 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 13.7 t -105.82 -25.29 12.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -88.0 -61.86 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.8 m -64.1 -53.68 45.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -89.73 -66.99 0.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.97 72.89 0.91 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.4 ptp -120.6 171.07 8.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.764 0.316 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.8 mtt-85 -56.14 99.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -49.9 -37.68 32.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.9 t -57.31 -39.33 75.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 121' ' ' ARG . 72.8 mm-40 -62.28 -41.91 98.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.1 mt -43.25 162.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -106.43 168.9 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.506 ' CD ' ' CG ' ' A' ' 105' ' ' ASP . 1.1 pm0 -78.86 -175.52 4.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.16 -38.58 10.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 105' ' ' ASP . 4.6 t80 -59.65 -59.89 4.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.506 ' CG ' ' CD ' ' A' ' 102' ' ' GLU . 6.5 m-20 -36.81 -38.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.402 ' CD1' HG23 ' A' ' 115' ' ' VAL . 29.1 tp -83.98 -47.68 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -54.88 -56.3 21.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -85.75 18.18 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.5 t 38.3 31.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -59.56 -62.71 1.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -127.6 92.41 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.517 ' CD1' ' HB3' ' A' ' 41' ' ' ALA . 30.6 t80 -72.43 -39.2 68.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -44.09 -34.45 3.16 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.456 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -64.5 -37.33 87.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.402 HG23 ' CD1' ' A' ' 106' ' ' LEU . 23.8 t -70.37 -39.16 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 45.1 mt -61.97 -44.04 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -57.69 -54.81 42.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 121' ' ' ARG . 22.0 m -40.49 -51.17 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.5 mt -62.09 -38.04 87.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 t -50.28 -45.29 54.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.497 ' O ' ' CG ' ' A' ' 124' ' ' ARG . 9.9 ptt-85 -80.58 -36.74 32.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 42.7 tp -48.98 -46.5 43.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.425 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 15.5 p -52.61 -23.96 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 121' ' ' ARG . 1.0 OUTLIER -60.12 -28.01 67.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 46.4 p -57.57 150.97 42.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.562 0.696 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 1.06 4.75 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.2 mp -93.33 -42.04 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.425 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -70.19 -54.89 10.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 28.8 mt -57.68 -38.99 76.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -45.16 -49.33 12.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.1 p -54.89 -36.11 64.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 97.5 21.06 20.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 54.3 mt -80.5 140.17 17.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 134' ' ' ARG . 4.5 ptp180 -44.19 103.55 0.33 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.147 0 C-N-CA 122.68 2.253 . . . . 0.0 112.283 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.776 0.24 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.528 ' NE1' ' CD ' ' A' ' 12' ' ' LYS . 13.8 p-90 -75.29 -41.53 56.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.528 ' CD ' ' NE1' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -33.39 -57.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -70.04 -44.03 70.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 15' ' ' ALA . 12.9 t -44.87 -52.38 8.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' CYS . . . -34.84 -46.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.068 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' TRP . 14.7 mm-40 -56.55 -68.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.537 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 25.7 t90 -35.8 -49.51 0.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.467 ' CD1' HD12 ' A' ' 40' ' ' LEU . 19.0 mt -53.27 -55.98 20.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.2 mt -50.43 -43.25 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -71.82 -34.29 69.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.537 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 88.1 m -66.84 -4.37 9.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp 71.74 46.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.41 HG21 ' N ' ' A' ' 24' ' ' LEU . 26.8 m -123.31 -29.52 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.562 HD23 ' CE1' ' A' ' 28' ' ' HIS . 46.8 mt -132.72 147.82 67.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.556 0.693 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.451 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.74 165.1 32.1 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -74.72 -25.6 59.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -109.55 27.0 9.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.564 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 1.8 t-80 -56.88 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.564 ' HD3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -90.66 -33.74 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 m -64.96 -19.31 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.4 p -71.35 -36.95 71.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.177 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -58.67 130.8 48.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -49.43 -44.06 45.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.1 m -50.17 -42.83 51.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.416 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -46.79 167.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 37' ' ' VAL . 80.0 mt-30 -150.03 164.47 35.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 36' ' ' GLN . 2.0 m -34.78 -44.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.409 ' CD1' ' CG ' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -50.49 -58.22 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -41.54 -61.07 1.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 18' ' ' LEU . 59.3 tp -63.4 -23.38 67.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.491 ' HB1' ' CD1' ' A' ' 112' ' ' PHE . . . -80.76 -25.72 37.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.409 ' CG ' ' CD1' ' A' ' 38' ' ' PHE . 29.1 mt-30 -77.38 -53.8 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.6 t -50.29 -23.16 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.9 mt -102.83 -28.87 11.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -41.18 -34.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.74 -47.59 80.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.74 24.38 12.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.519 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.4 t -103.01 -36.13 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 111.14 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.4 tp -78.49 -49.5 13.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.9 mt -39.25 -58.02 1.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 88.2 m -49.01 -43.12 40.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' LEU . 19.8 mt-30 -56.52 -50.16 72.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' GLN . 61.2 tp -35.3 -63.09 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 61.6 mt -57.01 -44.91 83.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 81.4 m-20 -56.88 -27.79 61.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -76.37 -42.36 44.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.4 mt -68.89 -54.77 13.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -118.3 157.68 26.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.92 146.02 24.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.071 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.3 m170 62.49 25.9 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -70.66 -43.9 68.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.467 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 51.2 mt -149.0 126.37 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -78.42 107.92 11.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.6 mt -44.27 -32.36 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -67.19 -38.43 85.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -61.99 -25.03 67.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.1 pt -105.19 141.07 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.908 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -74.22 -56.38 4.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.3 mt -54.66 -57.42 11.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.0 t -48.38 -59.73 3.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 75.0 mt -51.42 -54.77 23.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.12 -52.54 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -47.98 -57.73 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.5 mt -46.71 -58.28 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.2 mtp85 -42.45 -55.02 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 67.2 m -40.24 -48.87 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -58.61 -58.58 7.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.8 mt -50.44 -28.85 8.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.6 m -70.85 -46.61 62.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.4 -32.69 70.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 98.6 m -52.23 -25.25 8.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 48.8 t -110.9 -31.36 7.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -78.93 -53.22 7.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.1 m -74.91 -53.39 9.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.503 ' CE2' HD11 ' A' ' 122' ' ' LEU . 6.9 m-85 -88.18 -70.74 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.47 44.29 0.72 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 20.4 ptm -96.6 174.47 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.316 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.468 ' CB ' ' OE2' ' A' ' 99' ' ' GLU . 56.5 mtm-85 -61.49 172.93 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -103.09 -34.64 8.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.1 m -59.07 -30.25 67.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.511 ' N ' ' CD ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -65.89 -46.17 79.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.6 mt -45.76 157.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.563 ' CD1' HG21 ' A' ' 115' ' ' VAL . 43.1 p90 -102.94 151.47 22.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.95 125.92 26.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.85 -48.19 51.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -56.05 -53.65 54.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.24 -32.74 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.412 ' CD1' HG23 ' A' ' 115' ' ' VAL . 14.6 tp -84.36 -49.33 8.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -50.87 -59.39 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -81.67 -6.29 58.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.5 t 61.58 46.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -70.37 -64.43 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.3 97.6 4.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.491 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 29.9 t80 -69.48 -38.33 77.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.19 -36.29 2.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -64.58 -38.5 91.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.563 HG21 ' CD1' ' A' ' 101' ' ' PHE . 59.8 t -69.23 -37.22 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.0 mt -63.43 -49.97 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -50.99 -52.66 40.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 87.6 m -38.42 -48.09 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.408 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 17.5 mt -67.97 -42.9 80.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.0 m -47.63 -36.75 11.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 122' ' ' LEU . 46.5 mtt-85 -85.01 -56.65 3.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.503 HD11 ' CE2' ' A' ' 93' ' ' PHE . 21.8 tp -34.97 -44.84 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.446 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 59.6 p -45.49 -48.5 14.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 124' ' ' ARG . 15.4 mtp-105 -42.09 -37.82 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' A' ' 122' ' ' LEU . 61.7 p -42.35 148.64 0.5 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.571 0.701 . . . . 0.0 111.135 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -0.46 6.93 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.365 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.4 mp -96.27 -41.93 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -66.84 -41.81 86.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 132' ' ' GLY . 49.7 mt -70.89 -44.62 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -37.79 -47.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.9 p -60.92 -37.42 82.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 95.99 25.94 12.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 70.4 mt -81.88 146.17 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 111.099 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -37.47 99.39 0.18 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.268 . . . . 0.0 112.387 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.76 0.234 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.637 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 4.9 p-90 -78.59 -29.47 46.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.461 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 21.2 mmtm -58.65 -51.85 68.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -69.19 -46.26 67.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.2 t -42.39 -47.8 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -39.92 -48.15 2.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -54.02 -61.0 2.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.539 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 16.8 t90 -45.26 -48.03 12.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -53.73 -51.37 63.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.9 mt -55.78 -41.2 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -74.5 -30.31 61.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.539 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 94.3 m -71.02 0.19 8.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt 67.46 48.51 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 24' ' ' LEU . 34.5 m -127.57 -29.82 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 HD23 ' CE1' ' A' ' 28' ' ' HIS . 89.7 mt -131.36 147.35 65.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.585 0.707 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.75 156.52 63.16 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.733 2.289 . . . . 0.0 112.331 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.6 p -66.27 -28.73 68.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -106.01 21.86 16.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.462 ' CE1' HD23 ' A' ' 24' ' ' LEU . 2.3 t-160 -49.31 176.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -87.26 -21.63 25.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.0 m -72.26 -22.27 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.4 p -77.67 -15.96 58.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.5 m95 -67.84 129.45 39.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -52.53 -25.18 9.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 m -73.3 -35.49 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.46 166.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -144.52 160.53 40.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.637 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 3.3 m -38.29 -38.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.456 ' CE1' HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -60.45 -57.59 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -40.66 -58.59 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.2 tp -66.0 -27.4 68.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.515 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . . . -77.46 -22.68 51.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -76.07 -51.65 11.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.403 ' CG2' ' HG ' ' A' ' 44' ' ' LEU . 2.7 t -53.87 -25.17 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.403 ' HG ' ' CG2' ' A' ' 43' ' ' THR . 10.3 mt -102.57 -18.59 15.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -55.55 -39.9 71.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.465 ' CB ' HG21 ' A' ' 48' ' ' VAL . 41.1 m-20 -80.94 14.52 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.77 30.1 0.9 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.465 HG21 ' CB ' ' A' ' 46' ' ' ASP . 65.6 t -80.69 -54.75 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 52' ' ' GLN . 22.3 tp -77.84 -45.35 24.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 49' ' ' LEU . 11.1 mt -34.55 -58.92 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.3 m -56.13 -40.22 73.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 49' ' ' LEU . 24.8 mt-30 -60.33 -45.08 94.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.1 tp -42.74 -55.36 3.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.01 -44.45 96.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 71.5 m-20 -59.19 -23.66 62.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -78.34 -49.21 14.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.17 -53.35 50.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -118.27 157.71 26.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.07 148.95 21.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.0 m170 61.7 25.32 15.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -70.9 -47.02 61.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.499 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 68.9 mt -147.59 130.43 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -80.66 111.22 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.3 mt -49.18 -36.9 20.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -62.36 -38.52 89.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.437 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . 42.3 mt-10 -64.86 -23.52 67.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.0 pt -104.97 127.71 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.911 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 46.8 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.889 0.376 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -54.94 -71.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.5 mt -44.48 -55.78 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 46.1 t -46.49 -68.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 28.6 mt -45.99 -43.51 14.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -58.04 -56.56 20.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 82' ' ' ILE . 70.8 m-20 -49.42 -62.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 81' ' ' ASN . 90.5 mt -33.95 -55.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 86' ' ' LEU . 16.1 mtt-85 -57.71 -55.43 35.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.2 m -39.35 -32.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -82.6 -39.66 21.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 83' ' ' ARG . 73.1 mt -60.96 -36.54 79.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.564 ' CG2' ' N ' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -66.52 -47.36 73.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.117 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.564 ' N ' ' CG2' ' A' ' 87' ' ' THR . . . -57.66 -30.04 65.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 3.7 m -65.98 -15.8 63.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 21.9 t -120.31 -20.58 7.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -93.22 -45.29 7.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.3 m -82.44 -52.86 6.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -87.24 -56.99 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 99.17 56.89 0.98 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 70.2 mtp -102.45 179.1 4.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -78.56 105.16 9.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -53.44 -19.95 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.0 t -69.09 -31.0 69.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -76.73 -35.65 57.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 73.7 mt -49.07 160.47 0.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.539 ' CE1' HG12 ' A' ' 115' ' ' VAL . 36.3 p90 -94.1 159.88 14.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.63 179.37 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.01 -25.51 15.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -84.81 -49.59 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -38.57 -43.32 0.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.9 tp -75.89 -51.48 12.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 17.3 t80 -51.26 -62.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -74.19 3.66 6.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.456 HG21 ' CE1' ' A' ' 38' ' ' PHE . 43.2 t 48.37 43.54 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -69.1 -60.92 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -133.61 97.3 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' A' ' 41' ' ' ALA . 41.3 t80 -69.26 -38.41 78.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.78 -45.55 13.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -56.3 -30.82 63.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.539 HG12 ' CE1' ' A' ' 101' ' ' PHE . 19.5 t -77.38 -38.78 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.46 HD13 ' CB ' ' A' ' 11' ' ' TRP . 45.2 mt -64.22 -36.4 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -56.62 -51.38 68.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 98.3 m -44.45 -50.49 9.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.6 mt -55.86 -55.99 25.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.8 t -41.13 -41.71 1.83 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -75.01 -50.29 17.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 18.3 tp -42.19 -49.73 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 54.5 p -40.7 -44.19 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.408 ' CG ' ' N ' ' A' ' 125' ' ' THR . 26.2 ptt180 -45.18 -42.41 9.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.408 ' N ' ' CG ' ' A' ' 124' ' ' ARG . 71.6 p -43.36 145.94 0.97 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 111.083 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 0.3 5.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.07 -39.59 10.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.65 -48.57 46.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 42.0 mt -63.98 -36.04 82.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.82 -50.67 5.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 37.7 p -49.68 -33.34 15.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 104.98 11.83 29.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 53.1 mt -75.38 140.25 17.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 0.0 111.132 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 62.0 mmt-85 -65.5 137.68 96.61 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.6 p -66.84 99.49 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.889 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -110.57 144.38 39.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.65 130.9 43.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -123.74 162.02 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 0.0 110.853 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -135.62 122.9 21.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.79 176.87 15.04 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 ttt -94.07 134.23 36.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.724 0.297 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -87.38 152.43 52.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.656 0.741 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -9.94 27.31 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.339 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.519 ' CD1' HG12 ' A' ' 37' ' ' VAL . 6.9 p-90 -86.12 -23.96 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -67.92 -54.25 20.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -66.34 -32.81 74.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.7 t -57.12 -45.48 83.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.0 -48.91 6.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' TRP . 6.8 mm-40 -52.22 -66.97 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.519 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 36.6 t90 -37.5 -47.7 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.419 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 61.3 mt -54.89 -54.16 46.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 77.9 mt -53.71 -47.14 62.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -66.5 -32.36 73.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.519 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 65.1 m -70.8 -0.7 9.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm 69.48 47.49 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.46 HG21 ' N ' ' A' ' 24' ' ' LEU . 34.3 m -126.5 -28.83 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.566 HD21 ' CE1' ' A' ' 28' ' ' HIS . 63.9 mt -129.92 146.22 60.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.632 0.73 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 54.2 Cg_endo -69.76 147.84 63.79 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.402 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.8 p -61.53 -21.2 64.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -111.36 20.92 16.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.566 ' CE1' HD21 ' A' ' 24' ' ' LEU . 2.4 t-160 -51.38 169.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -82.36 -18.37 42.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.2 m -76.02 -16.8 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.8 p -82.19 -8.43 59.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -80.09 139.73 36.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -41.64 78.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.3 m -58.39 -22.24 53.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.14 168.29 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' VAL . 81.0 mt-30 -154.55 163.79 39.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.519 HG12 ' CD1' ' A' ' 11' ' ' TRP . 5.3 m -36.01 -40.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -55.63 -62.43 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -41.0 -55.96 2.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.2 tp -66.3 -26.42 67.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.531 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . . . -80.67 -12.72 59.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -86.75 -50.29 6.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.3 t -51.23 -20.44 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 47' ' ' GLY . 4.5 mt -107.71 -24.4 11.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.976 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -41.12 -32.34 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -75.18 -38.03 61.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 89.54 16.71 56.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.479 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.8 t -88.67 -28.02 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.371 . . . . 0.0 111.095 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLN . 16.4 tp -83.97 -51.36 7.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.56 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . 11.6 mt -37.22 -54.41 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.423 ' HA ' ' CD1' ' A' ' 62' ' ' ILE . 97.1 m -52.28 -40.87 62.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' LEU . 30.4 mt-30 -60.71 -51.79 67.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.0 tp -38.9 -56.47 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 43.0 mt -60.82 -40.75 93.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 88.4 m-20 -63.62 -21.9 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -80.74 -47.11 14.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.16 -54.54 24.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -114.82 159.96 20.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.21 143.72 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 60.82 35.51 19.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 m -79.52 -44.14 21.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.435 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 36.9 mt -145.77 127.45 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -75.17 107.91 7.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.9 mt -48.17 -34.04 9.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -66.45 -35.34 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.98 -24.46 66.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.3 pt -105.35 142.36 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -77.97 90.17 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.5 mt -52.09 -33.06 37.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -116.43 81.27 10.85 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.608 0.718 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -22.63 31.71 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.663 2.242 . . . . 0.0 112.382 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 51.91 43.54 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 30.5 mmt 58.18 50.01 10.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 m -106.14 123.72 48.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -63.75 -51.4 65.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -57.77 -49.33 76.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.79 -50.42 69.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 37.0 m -51.87 -66.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.7 mt -42.98 -42.75 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 -52.3 65.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -51.29 -61.25 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.3 mt -40.38 -52.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.6 mtp85 -52.3 -47.26 66.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.6 m -49.04 -42.91 39.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.56 ' CD2' ' HB3' ' A' ' 50' ' ' LEU . 2.5 t80 -65.86 -42.92 89.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.2 mt -61.53 -35.0 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.2 m -71.31 -48.14 52.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.16 -22.73 61.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 6.2 m -70.17 -21.27 63.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 62.5 m -113.85 -18.35 11.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.26 -48.82 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.6 m -80.57 -47.26 14.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.522 ' CE2' HD13 ' A' ' 122' ' ' LEU . 16.0 m-85 -93.7 -61.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.53 56.61 0.81 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 34.3 mtm -100.3 -179.02 3.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -66.66 154.24 41.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -95.88 -17.88 20.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.5 t -81.29 -37.67 28.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.451 ' N ' ' CD ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -60.93 -46.48 90.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.0 mt -38.43 157.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -95.15 164.15 12.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -81.11 121.21 25.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.66 -47.05 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 14.4 t80 -58.91 -56.72 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 104' ' ' PHE . 40.4 m-20 -38.2 -41.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 38.3 tp -75.68 -53.17 8.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -50.44 -65.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.406 ' HB3' ' CG ' ' A' ' 110' ' ' ARG . 9.8 t0 -70.79 -6.23 36.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.0 t 57.96 37.71 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.406 ' CG ' ' HB3' ' A' ' 108' ' ' ASP . 19.2 mtp180 -69.23 -64.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -120.71 86.27 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 41' ' ' ALA . 45.7 t80 -68.11 -40.07 82.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.48 -30.74 4.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -67.69 -34.4 76.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.2 t -72.5 -40.34 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 14.1 mt -56.75 -44.69 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -60.35 -43.32 96.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 89.6 m -47.47 -34.55 7.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.0 mt -80.5 -33.81 36.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.549 ' OG ' ' CE2' ' A' ' 136' ' ' PHE . 9.7 m -54.15 -37.05 63.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 121' ' ' ARG . 4.5 mtm105 -77.17 -51.21 11.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.522 HD13 ' CE2' ' A' ' 93' ' ' PHE . 9.6 tp -43.93 -48.55 8.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.5 p -42.07 -37.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.444 ' CG ' ' N ' ' A' ' 125' ' ' THR . 13.1 ptt180 -55.85 -44.48 78.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 124' ' ' ARG . 81.5 p -36.02 146.48 0.2 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.577 0.703 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.01 3.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.06 -32.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.5 -41.59 27.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 29.5 mt -69.5 -39.73 77.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.76 -48.72 5.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.3 p -56.6 -32.66 65.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.98 22.18 36.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 134' ' ' ARG . 46.0 mt -81.66 135.25 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 0.0 111.134 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 133' ' ' ILE . 16.4 mmm-85 -32.84 96.17 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.561 0.696 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 133' ' ' ILE . 54.1 Cg_endo -69.7 163.24 38.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.41 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.549 ' CE2' ' OG ' ' A' ' 120' ' ' SER . 11.7 m-85 -71.69 158.98 86.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.606 0.717 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 115.64 4.19 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 67.1 m -86.26 128.38 34.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 136.67 152.19 6.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -28.26 25.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 15.1 t -49.4 130.77 20.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 54.3 p -86.85 118.11 26.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -160.97 145.25 13.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -49.87 123.35 7.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.96 145.95 12.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -64.24 93.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -76.19 143.72 40.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.86 -169.99 43.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.53 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -99.67 93.82 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.732 0.301 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -45.09 152.56 0.58 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.665 0.745 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -3.36 11.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.365 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.555 ' CD1' HG11 ' A' ' 37' ' ' VAL . 8.3 p-90 -98.76 -28.36 13.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.48 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 23.5 mmtt -58.82 -52.83 64.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -68.12 -38.36 82.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.3 t -48.83 -49.02 41.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.03 -49.56 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -51.9 -65.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.454 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 18.6 t90 -41.79 -45.55 3.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 39.6 mt -57.84 -50.55 72.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.27 -43.53 76.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -72.34 -30.77 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.454 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 56.2 m -71.31 -1.05 11.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 67.79 49.33 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.442 HG21 ' N ' ' A' ' 24' ' ' LEU . 35.5 m -125.57 -29.36 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.575 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 63.8 mt -133.76 151.24 76.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.634 0.73 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.82 152.96 69.16 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.285 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.4 p -62.99 -29.16 70.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.66 24.08 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CE1' ' CD2' ' A' ' 24' ' ' LEU . 2.8 t-160 -50.48 170.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.4 ptt-85 -78.35 -26.19 46.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.9 m -69.58 -25.04 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.8 p -68.42 -38.82 81.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -53.26 148.95 7.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -64.04 -47.91 78.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 t -50.34 -22.5 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.95 160.53 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -147.54 170.29 17.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.555 HG11 ' CD1' ' A' ' 11' ' ' TRP . 3.8 m -40.8 -51.4 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -45.95 -61.41 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -38.84 -59.67 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.69 -25.03 68.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.555 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . . . -78.76 -23.73 45.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -79.84 -53.59 6.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 t -47.92 -24.23 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.142 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -104.56 -23.73 13.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -46.36 -28.59 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -66.99 -43.69 82.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.9 24.4 22.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.8 t -104.92 -35.12 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.7 tp -77.5 -48.75 16.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -39.06 -56.54 1.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 66.6 m -51.33 -43.81 61.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' LEU . 14.6 mt-30 -55.77 -53.62 54.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' GLN . 18.5 tp -36.31 -55.28 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.476 HD22 ' CE1' ' A' ' 93' ' ' PHE . 47.7 mt -58.59 -45.2 89.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -57.85 -32.4 67.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -69.02 -50.84 45.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.544 ' C ' ' CG2' ' A' ' 127' ' ' ILE . 22.0 mt -65.83 -56.64 10.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.8 ttm-85 -109.45 160.26 16.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.83 143.88 26.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 58.77 26.62 14.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 m -66.13 -41.26 90.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 63' ' ' ASN . 37.3 mt -148.57 137.04 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.407 ' N ' HG23 ' A' ' 62' ' ' ILE . 45.0 t-20 -83.62 105.68 14.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.0 mt -46.73 -31.95 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -69.17 -34.27 74.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.54 -21.94 66.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.7 pt -108.16 138.73 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -76.3 86.76 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.4 mt -46.47 -31.45 2.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 70' ' ' ARG . 8.2 ttm105 -117.11 83.23 14.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -18.46 36.99 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.677 2.251 . . . . 0.0 112.364 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 52.36 37.71 23.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.7 mmt 56.48 51.28 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -111.2 99.93 8.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.801 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.478 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 47.7 tt0 -38.03 -39.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -59.93 -51.14 70.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.2 mt -71.58 -59.35 2.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.8 t -39.56 -51.07 2.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.2 -46.97 88.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.443 ' C ' ' CD ' ' A' ' 80' ' ' LYS . 2.9 tmtm? -58.0 -56.19 25.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' ILE . 23.5 m-20 -44.61 -64.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' ASN . 84.9 mt -37.74 -57.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -49.23 -43.07 42.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.8 m -51.71 -43.65 62.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -63.61 -62.1 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.552 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 14.0 mt -48.27 -35.34 11.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 88.5 m -62.14 -36.33 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.9 -33.26 68.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.4 m -59.22 -13.89 9.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 39.4 t -114.64 -26.84 7.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -90.2 -57.56 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 52.3 m -67.43 -55.98 11.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.541 ' CE2' HD12 ' A' ' 122' ' ' LEU . 73.1 m-85 -87.49 -66.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 101.78 68.97 0.83 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.7 ptm -116.75 170.7 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -59.7 118.03 5.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -37.0 85.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -56.67 -25.18 53.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -78.75 -37.34 41.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.6 mt -52.27 160.6 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.552 ' CZ ' HD21 ' A' ' 86' ' ' LEU . 48.7 p90 -91.38 178.11 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 103' ' ' ALA . 16.1 mm-40 -100.54 120.66 40.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 102' ' ' GLU . . . -34.67 -43.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.081 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' ASP . 17.4 t80 -60.77 -60.29 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' PHE . 23.3 m-20 -36.79 -38.3 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.0 tp -75.14 -59.4 2.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.478 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 15.7 t80 -47.4 -60.34 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -74.32 -3.75 32.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 t 53.2 35.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -59.24 -66.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.11 95.99 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 41' ' ' ALA . 46.2 t80 -67.97 -33.29 74.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.08 -32.09 27.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.492 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -67.35 -40.07 85.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.504 HG21 ' CG ' ' A' ' 101' ' ' PHE . 59.0 t -68.83 -41.29 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 40.9 mt -57.65 -49.01 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -51.03 -51.0 57.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 89.5 m -40.78 -48.46 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 27.7 mt -62.22 -45.22 94.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.507 ' HA ' ' CG ' ' A' ' 136' ' ' PHE . 38.8 t -45.51 -37.02 4.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -83.11 -53.76 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.541 HD12 ' CE2' ' A' ' 93' ' ' PHE . 22.6 tp -40.77 -42.02 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.8 p -49.81 -47.05 51.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -43.74 -33.23 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 122' ' ' LEU . 72.7 p -45.42 147.17 1.46 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.585 0.707 . . . . 0.0 111.144 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -2.64 10.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.544 ' CG2' ' C ' ' A' ' 57' ' ' LEU . 5.2 mp -94.75 -36.61 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.33 -40.31 62.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 132' ' ' GLY . 47.0 mt -72.18 -40.42 67.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.46 -50.8 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 37.3 p -57.13 -33.1 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 91.08 23.68 29.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 134' ' ' ARG . 59.4 mt -79.89 141.12 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 111.119 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 133' ' ' ILE . 34.3 mmm-85 -36.28 98.68 0.16 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.718 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 53.9 Cg_endo -69.77 145.51 57.32 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.507 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 16.5 m-85 -54.9 143.72 50.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.635 0.731 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 160.89 48.01 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.371 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.9 t -171.4 143.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -157.27 168.18 34.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.443 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 95.07 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 50.7 m -91.79 156.73 17.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 34.1 p -111.74 132.41 54.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.824 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -133.24 164.66 26.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -141.96 177.31 8.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.44 147.63 17.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 p -72.32 112.17 8.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.384 . . . . 0.0 110.864 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m 43.76 43.82 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.81 -127.58 5.0 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 tpp -109.48 142.92 39.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.716 0.294 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -76.33 152.61 83.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.633 0.73 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -3.32 11.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.25 . . . . 0.0 112.355 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.54 ' CZ2' ' HD2' ' A' ' 12' ' ' LYS . 6.1 p-90 -94.14 -42.4 9.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.54 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 20.1 mmmt -45.91 -43.96 14.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -80.67 -41.57 23.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.7 t -49.4 -39.55 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.13 -45.61 33.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -55.48 -59.8 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 26.5 t90 -42.75 -46.86 5.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' CD1' HD13 ' A' ' 40' ' ' LEU . 17.1 mt -56.55 -54.66 43.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.1 mt -53.07 -42.81 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -73.45 -29.64 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 68.8 m -71.71 1.12 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp 67.22 46.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 24' ' ' LEU . 34.7 m -123.62 -29.95 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 28' ' ' HIS . 55.8 mt -132.93 151.13 77.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.706 . . . . 0.0 110.959 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.476 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.81 161.04 47.45 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.2 p -69.75 -30.14 67.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -106.54 26.61 9.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.56 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.3 t-80 -53.14 -175.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.411 ' H ' ' CG ' ' A' ' 28' ' ' HIS . 11.9 ptm180 -88.29 -33.95 17.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.7 m -63.46 -14.5 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.2 p -82.6 -30.81 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -57.05 130.09 44.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -47.32 -41.8 19.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.5 p -59.29 -37.65 78.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.67 160.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.069 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' VAL . 69.5 mt-30 -146.75 160.31 42.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.509 HG13 ' CG ' ' A' ' 11' ' ' TRP . 2.6 m -34.52 -46.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -50.77 -59.98 3.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -40.88 -57.93 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 18' ' ' LEU . 27.3 tp -63.35 -27.03 69.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.421 ' HB1' ' CD1' ' A' ' 112' ' ' PHE . . . -76.19 -27.68 56.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -74.28 -56.79 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.7 t -45.15 -21.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.5 mt -107.37 -27.52 10.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -44.74 -37.79 3.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.44 -45.73 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.23 25.21 14.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.6 t -105.21 -32.99 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.897 0.38 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 50' ' ' LEU . 42.7 tp -82.94 -53.26 5.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.4 mt -34.26 -59.24 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.9 m -48.39 -44.57 34.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' LEU . 19.2 mt-30 -55.54 -47.7 75.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' GLN . 56.8 tp -34.87 -63.45 0.32 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.495 HD23 ' CE1' ' A' ' 93' ' ' PHE . 58.1 mt -57.38 -46.81 83.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -53.81 -25.23 18.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -81.6 -43.8 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.2 mt -69.6 -53.66 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.447 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 9.0 ttt180 -118.28 159.36 23.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.21 146.85 23.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.6 m170 62.64 28.58 16.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.8 m -75.12 -44.67 45.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.7 mt -148.9 122.69 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' GLU . 48.7 t-20 -75.3 107.33 7.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.4 mt -43.35 -32.97 0.91 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -68.09 -38.78 82.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' ASN . 13.7 mt-10 -62.89 -27.0 69.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 21.5 pt -103.59 130.06 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.405 ' ND2' HD23 ' A' ' 77' ' ' LEU . 37.9 m-20 -65.7 113.41 4.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.5 mt -86.07 153.89 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 70' ' ' ARG . 4.5 mpt_? 55.15 54.98 10.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.588 0.709 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 70' ' ' ARG . 53.5 Cg_endo -69.73 -2.54 10.33 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.676 2.25 . . . . 0.0 112.326 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 71' ' ' PRO . 34.6 mt-30 34.44 43.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.9 mmt 62.28 53.08 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 75' ' ' GLN . 3.3 m -96.15 98.04 10.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 74' ' ' SER . 31.6 tt0 -34.68 -44.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -65.45 -58.57 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.405 HD23 ' ND2' ' A' ' 68' ' ' ASN . 37.6 mt -63.76 -62.77 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' LEU . 48.9 t -38.23 -61.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.0 mt -47.07 -56.45 6.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -58.75 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 82' ' ' ILE . 80.5 m-20 -41.74 -65.29 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 81' ' ' ASN . 71.7 mt -35.0 -53.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -54.94 -50.77 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.0 m -44.57 -38.63 4.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.429 ' CZ ' ' SG ' ' A' ' 89' ' ' CYS . 6.2 t80 -68.69 -60.2 2.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.446 HD23 ' CZ ' ' A' ' 101' ' ' PHE . 19.9 mt -45.51 -28.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.5 m -69.8 -51.15 36.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -39.94 75.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.429 ' SG ' ' CZ ' ' A' ' 85' ' ' PHE . 56.2 m -52.31 -19.52 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 47.7 t -111.69 -27.91 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -86.63 -54.89 4.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.447 ' CG2' ' HD3' ' A' ' 58' ' ' ARG . 67.9 m -68.15 -56.87 7.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.655 ' CD2' ' CD1' ' A' ' 122' ' ' LEU . 14.1 m-85 -88.94 -64.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.79 65.59 0.8 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.5 ptp -110.38 -175.56 2.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.788 0.328 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.412 ' CB ' ' HG2' ' A' ' 99' ' ' GLU . 15.7 mmt85 -65.06 100.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -54.93 -27.28 42.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -69.88 -29.82 67.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.445 ' HG3' ' NE ' ' A' ' 121' ' ' ARG . 15.7 mm-40 -70.47 -31.55 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.7 mt -52.68 160.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.454 ' CD2' HG21 ' A' ' 115' ' ' VAL . 10.0 p90 -94.19 178.8 5.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -93.81 161.66 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.98 68.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.622 ' CZ ' ' CG ' ' A' ' 108' ' ' ASP . 12.6 t80 -67.67 -47.89 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -37.28 -43.73 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.2 tp -81.22 -52.48 7.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -47.38 -58.61 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.622 ' CG ' ' CZ ' ' A' ' 104' ' ' PHE . 0.6 OUTLIER -81.98 16.11 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 15.7 t 38.28 43.14 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.2 mtp85 -64.35 -63.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -134.26 99.2 4.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.421 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 30.0 t80 -71.26 -36.89 71.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.68 -36.17 6.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -66.15 -37.15 84.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.454 HG21 ' CD2' ' A' ' 101' ' ' PHE . 38.5 t -72.22 -38.32 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.38 -47.67 92.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.426 ' C ' ' OE1' ' A' ' 117' ' ' GLU . 0.2 OUTLIER -54.2 -48.72 70.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 99.4 m -39.63 -49.69 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.67 -47.45 75.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.572 ' HA ' ' CD1' ' A' ' 136' ' ' PHE . 4.8 p -44.4 -38.04 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.445 ' NE ' ' HG3' ' A' ' 99' ' ' GLU . 25.7 mtp85 -77.48 -60.12 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.655 ' CD1' ' CD2' ' A' ' 93' ' ' PHE . 9.1 tp -38.97 -40.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 76.6 p -44.45 -45.11 8.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 125' ' ' THR . 11.3 ptt-85 -46.58 -36.42 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.466 ' N ' ' HG3' ' A' ' 124' ' ' ARG . 72.0 p -45.69 146.62 1.8 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 111.148 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 0.5 5.56 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.24 . . . . 0.0 112.341 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.34 -44.98 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.75 77.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.093 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 33.0 mt -67.01 -38.14 85.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.04 -46.22 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 41.6 p -58.65 -34.41 71.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.5 26.45 17.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 134' ' ' ARG . 47.5 mt -85.17 139.65 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 133' ' ' ILE . 11.5 mmm180 -36.36 98.68 0.16 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.681 0.753 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 54.3 Cg_endo -69.71 140.86 43.92 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 120' ' ' SER . 36.0 m-85 -49.05 156.49 0.94 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 138' ' ' SER . 53.6 Cg_endo -69.75 -1.69 8.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.351 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 137' ' ' PRO . 5.8 t -34.34 112.65 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -86.47 -173.77 49.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.433 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 95.01 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.1 m 64.27 42.25 5.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.3 m 54.4 42.01 31.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.52 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.0 t -53.32 98.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -50.37 -53.4 29.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.55 -132.45 6.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t -106.38 40.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.378 . . . . 0.0 110.859 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 p -135.42 156.89 48.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.92 173.68 27.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.9 ttm -99.35 103.68 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.731 0.301 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.466 ' HB2' ' CG ' ' A' ' 12' ' ' LYS . 12.1 mm-40 -47.4 161.45 0.32 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.668 0.747 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.427 ' HD2' ' CD ' ' A' ' 9' ' ' GLU . 53.8 Cg_endo -69.81 -47.11 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.648 2.232 . . . . 0.0 112.359 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.592 ' CZ2' ' HE3' ' A' ' 12' ' ' LYS . 25.3 p-90 -60.25 -40.46 90.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.592 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 3.2 mmpt? -36.83 -63.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -64.3 -41.36 96.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.5 t -46.51 -49.48 18.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.36 -46.99 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -55.46 -55.21 34.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.533 ' CZ3' ' HB3' ' A' ' 119' ' ' LEU . 26.3 t90 -48.52 -46.09 38.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' CD1' HD13 ' A' ' 40' ' ' LEU . 60.9 mt -56.97 -49.05 76.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 81.0 mt -57.47 -44.99 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -69.93 -30.84 68.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.477 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 53.1 m -73.98 -0.2 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt 66.5 50.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.458 HG21 ' N ' ' A' ' 24' ' ' LEU . 35.6 m -127.6 -29.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.58 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 72.8 mt -129.12 147.3 64.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.677 0.751 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.434 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.79 155.36 66.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.709 2.272 . . . . 0.0 112.295 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.9 p -68.18 -18.75 64.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -113.09 17.31 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.58 ' CE1' ' CD2' ' A' ' 24' ' ' LEU . 2.3 t-160 -46.76 168.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -77.94 -43.8 28.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -53.18 -30.13 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 51.5 p -60.34 -31.71 70.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -63.63 136.22 57.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -53.27 -45.42 68.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -49.24 -44.3 43.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.05 160.35 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 37' ' ' VAL . 59.1 mt-30 -140.47 165.12 28.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.522 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.4 m -35.18 -47.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.688 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 11.0 t80 -46.03 -63.87 0.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' PHE . 9.4 t0 -37.23 -55.18 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 18' ' ' LEU . 60.1 tp -65.21 -32.93 74.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -75.42 -14.25 60.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.688 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 40.4 mt-30 -86.93 -49.51 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 t -56.06 -14.16 2.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.2 mt -113.1 -25.18 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.97 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -43.8 -36.13 2.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -65.3 -45.71 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.67 26.92 8.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.8 t -101.54 -38.5 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 0.0 111.145 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 52' ' ' GLN . 23.5 tp -76.1 -53.71 7.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' LEU . 9.5 mt -35.02 -56.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 59.8 m -50.0 -42.54 49.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 49' ' ' LEU . 30.1 mt-30 -56.38 -50.68 70.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.3 tp -39.72 -60.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.427 HD12 ' CD2' ' A' ' 85' ' ' PHE . 51.8 mt -57.73 -40.31 79.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -64.57 -23.53 67.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -80.18 -43.32 21.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.9 mt -70.5 -53.78 14.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.447 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 27.4 ttt-85 -116.61 155.63 28.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.55 146.83 23.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.057 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 60.86 30.9 19.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 m -76.53 -42.62 42.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 63' ' ' ASN . 26.1 mt -149.88 141.34 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.441 ' N ' HG23 ' A' ' 62' ' ' ILE . 39.8 t-20 -90.95 110.71 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.6 mt -49.04 -37.31 20.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -64.43 -35.99 82.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -68.51 -22.05 64.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 23.9 pt -105.84 137.14 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -66.88 104.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.6 mt -68.96 -44.89 72.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.3 ptt-85 -110.31 81.57 2.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.738 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -43.27 2.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.643 2.228 . . . . 0.0 112.394 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 70.27 35.02 2.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.7 mmt 68.1 52.19 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.25 123.06 47.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -61.74 -66.68 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -43.06 -44.19 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 80' ' ' LYS . 94.1 mt -71.72 -70.0 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 77' ' ' LEU . 82.9 m -34.38 -52.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.7 mt -59.25 -41.89 89.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -60.31 -56.92 15.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 84' ' ' THR . 39.9 m-20 -43.8 -63.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' ASN . 84.5 mt -35.82 -55.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -51.75 -43.61 63.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 81' ' ' ASN . 58.1 m -52.67 -42.25 64.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.427 ' CD2' HD12 ' A' ' 54' ' ' LEU . 2.4 t80 -69.42 -42.16 75.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.415 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 10.1 mt -61.25 -29.78 70.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 25.1 m -73.64 -43.57 59.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.85 -41.1 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 14.6 m -56.28 -22.7 31.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 84.4 m -107.04 -19.03 13.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -95.03 -58.13 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.447 ' CG2' ' HD3' ' A' ' 58' ' ' ARG . 87.9 m -69.08 -49.89 53.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.557 ' CE2' HD13 ' A' ' 122' ' ' LEU . 24.7 m-85 -90.92 -64.32 1.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 109.75 53.28 0.59 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.6 mtp -93.29 168.47 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.7 mmt-85 -78.36 124.24 27.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -68.46 -14.35 62.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.3 t -76.75 -8.51 57.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -108.93 -29.75 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.9 mt -54.75 160.59 1.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.476 ' CG ' HG22 ' A' ' 115' ' ' VAL . 48.4 p90 -92.37 165.11 13.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -88.19 136.24 33.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.14 -48.05 6.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' ASP . 12.2 t80 -63.12 -55.39 25.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 104' ' ' PHE . 3.0 t70 -37.32 -32.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.817 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 104' ' ' PHE . 8.4 tp -89.91 -47.53 7.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -50.92 -65.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.05 -3.58 27.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.1 t 58.52 47.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -70.36 -73.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -117.0 94.53 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.404 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 10.5 t80 -68.47 -34.63 76.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.25 -32.17 28.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -68.98 -36.83 78.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.476 HG22 ' CG ' ' A' ' 101' ' ' PHE . 21.7 t -73.55 -34.11 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 29.6 mt -65.57 -52.15 54.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 120' ' ' SER . 7.2 tp10 -50.0 -47.55 52.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.7 m -42.51 -45.51 4.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.533 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 14.3 mt -69.64 -29.51 67.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.509 ' HA ' ' CG ' ' A' ' 136' ' ' PHE . 38.8 m -61.17 -31.59 71.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -87.13 -44.77 11.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.557 HD13 ' CE2' ' A' ' 93' ' ' PHE . 7.7 tp -46.57 -55.38 7.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.427 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 76.5 p -39.72 -43.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -46.61 -43.62 17.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 69.1 p -39.54 149.51 0.26 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.182 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -7.25 20.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.5 mp -88.51 -35.15 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.427 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -76.73 -43.93 35.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.03 -35.32 78.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.57 -46.85 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 47.4 p -62.16 -37.91 87.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.77 23.58 17.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 134' ' ' ARG . 42.2 mt -79.82 138.13 20.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 111.161 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 133' ' ' ILE . 22.2 mmt180 -32.78 96.07 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.635 0.731 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.9 Cg_endo -69.74 154.71 67.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.509 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 21.0 m-85 -62.27 156.63 59.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.663 0.744 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -11.84 31.71 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.358 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 61.3 p -71.87 101.68 2.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -76.92 148.57 35.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 129.89 18.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.32 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 142' ' ' SER . 24.5 m -60.85 141.12 57.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 141' ' ' SER . 2.9 m -37.5 -54.73 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 m -75.96 134.92 40.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.844 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -131.44 -44.2 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.54 167.56 4.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.459 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p -129.57 152.83 48.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 0.0 110.85 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 t -104.37 102.63 12.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 125.54 144.46 6.24 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 7' ' ' GLY . 33.9 tpp -37.47 126.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -54.88 149.02 24.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.638 0.732 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -18.86 36.45 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.33 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.57 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 15.9 p-90 -92.77 -43.99 8.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.497 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 22.8 mmtt -41.46 -43.21 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -81.6 -40.81 22.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.4 t -50.99 -39.58 55.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.91 -42.3 26.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -58.97 -61.77 2.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.49 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 12.2 t90 -42.26 -49.59 5.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.433 ' CD1' HD11 ' A' ' 40' ' ' LEU . 64.8 mt -51.79 -54.37 29.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 77.0 mt -53.29 -43.69 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -73.11 -28.34 62.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.49 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 68.5 m -72.71 2.02 7.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.822 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt 66.2 46.62 2.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 24' ' ' LEU . 33.4 m -124.84 -29.32 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.568 HD21 ' CE1' ' A' ' 28' ' ' HIS . 81.6 mt -132.14 151.55 78.6 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.614 0.721 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.476 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 54.0 Cg_endo -69.71 167.47 24.29 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.2 p -74.72 -30.34 61.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -106.16 24.92 11.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.568 ' CE1' HD21 ' A' ' 24' ' ' LEU . 2.0 t-160 -51.25 -177.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 30' ' ' VAL . 9.2 ptp85 -88.15 -39.23 14.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.464 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 4.3 m -57.15 -20.45 12.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.9 p -74.97 -30.18 61.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -60.0 143.37 51.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.75 -34.79 77.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 t -62.68 -33.02 74.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.4 163.63 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 37' ' ' VAL . 80.0 mt-30 -148.84 161.01 42.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.57 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 5.0 m -33.95 -38.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -60.79 -57.23 13.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.47 -57.83 1.71 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 18' ' ' LEU . 35.8 tp -67.04 -26.16 66.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.538 ' HB1' ' CD1' ' A' ' 112' ' ' PHE . . . -77.38 -23.14 50.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -77.53 -56.14 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.1 t -46.58 -23.95 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' GLY . 26.8 mt -102.09 -33.21 9.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' LEU . 13.3 ttt180 -37.9 -42.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.04 -45.1 83.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 94.32 31.36 8.02 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -107.56 -35.96 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 111.156 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.5 tp -78.95 -47.98 15.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.6 mt -37.78 -58.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 62.9 m -49.49 -42.64 44.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' LEU . 24.5 mt-30 -56.65 -52.0 66.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' GLN . 52.4 tp -34.33 -66.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 43.0 mt -53.13 -41.51 65.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -61.76 -27.85 69.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -76.42 -43.2 41.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.8 mt -70.66 -54.97 9.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -116.76 156.95 26.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.47 146.72 23.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 62.37 29.35 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 m -75.59 -43.91 45.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.5 mt -148.99 121.3 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.467 ' HB3' ' CG ' ' A' ' 66' ' ' GLU . 44.1 t-20 -72.86 109.8 6.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 74.2 mt -47.58 -37.37 12.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -63.81 -32.17 73.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.467 ' CG ' ' HB3' ' A' ' 63' ' ' ASN . 11.2 mm-40 -68.52 -25.18 64.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.1 pt -102.86 140.69 20.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -77.67 103.08 7.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.4 mt -78.41 141.29 38.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.444 ' N ' ' CD ' ' A' ' 71' ' ' PRO . 55.8 ttm-85 68.42 54.54 0.6 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.719 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 70' ' ' ARG . 53.1 Cg_endo -69.8 -3.86 12.89 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.659 2.239 . . . . 0.0 112.313 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 38.99 40.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 21.3 mmt 65.16 52.66 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 75' ' ' GLN . 2.8 m -99.29 96.87 8.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.5 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 25.4 tt0 -34.66 -47.09 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.55 -55.73 31.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.5 mt -65.2 -60.16 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 82.2 m -40.08 -62.01 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.1 mt -48.43 -51.56 26.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -60.62 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' THR . 70.8 m-20 -44.07 -64.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 81' ' ' ASN . 85.3 mt -34.49 -54.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -51.96 -44.85 64.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' ASN . 93.3 m -50.58 -44.43 56.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.09 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.91 -60.53 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.9 mt -47.29 -29.81 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 32.3 m -65.48 -57.07 9.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -53.07 -39.39 63.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.2 -19.26 2.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 69.2 m -113.09 -30.32 7.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -89.67 -53.49 4.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 88' ' ' ALA . 63.6 m -68.26 -55.37 12.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -92.7 -62.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.58 62.26 0.69 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.401 ' SD ' ' OE2' ' A' ' 99' ' ' GLU . 25.1 mtm -107.84 160.27 15.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -57.55 96.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.455 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 19.7 ttmt -36.57 -41.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.5 p -51.19 -46.5 62.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 96' ' ' ARG . 4.0 pt-20 -56.21 -36.67 68.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.455 ' CD1' ' HA ' ' A' ' 97' ' ' LYS . 23.0 mt -54.85 -179.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -113.09 176.56 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -79.14 -176.19 5.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.05 -33.19 10.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -81.3 -36.41 29.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.95 -46.05 42.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 27.5 tp -73.4 -54.91 7.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.5 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 22.2 t80 -49.56 -60.88 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -78.88 9.13 4.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.7 t 40.82 44.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -69.72 -62.06 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -128.3 95.07 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.538 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 21.5 t80 -70.6 -37.42 73.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.39 -37.29 8.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -65.94 -37.06 85.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.786 0.327 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.6 t -69.53 -41.54 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 52.7 mt -59.91 -52.94 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 118' ' ' THR . 13.1 tm-20 -46.43 -58.91 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 117' ' ' GLU . 33.2 m -34.29 -50.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.202 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.68 -47.84 83.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.489 ' HA ' ' CG ' ' A' ' 136' ' ' PHE . 47.9 t -42.06 -45.47 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -75.12 -44.47 46.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.9 tp -42.64 -48.62 5.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.423 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 90.3 p -42.31 -44.75 3.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -44.08 -39.66 4.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 65.4 p -42.7 147.02 0.66 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.604 0.716 . . . . 0.0 111.134 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 0.76 5.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.706 2.27 . . . . 0.0 112.322 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.71 -37.72 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -71.92 -43.51 65.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.29 -40.7 81.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.27 -49.07 5.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.6 p -57.56 -39.53 76.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.99 21.74 11.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.3 mt -78.19 142.08 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 111.098 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -43.79 110.27 0.94 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 141.02 44.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.489 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 19.6 m-85 -49.82 155.29 1.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.702 0.763 . . . . 0.0 110.828 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 118.63 5.79 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.656 2.237 . . . . 0.0 112.33 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.9 t -51.24 106.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -116.25 169.59 13.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 162.44 42.08 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 19.7 m -114.29 176.41 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.4 t -45.54 127.79 7.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.54 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t -53.65 145.19 15.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.6 p -93.59 117.86 30.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.7 151.68 7.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -130.75 42.74 3.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.853 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 t -60.24 107.67 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.74 172.78 41.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.7 ttt -102.61 97.71 7.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -48.36 157.0 0.73 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -20.9 34.18 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.673 2.248 . . . . 0.0 112.367 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.585 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 6.0 p-90 -65.22 -35.76 82.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.567 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 20.7 mmtt -59.84 -41.38 91.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -68.48 -49.82 56.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 15' ' ' ALA . 43.1 t -49.13 -51.69 30.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' CYS . . . -35.18 -43.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -62.1 -58.32 8.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.55 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 29.7 t90 -46.42 -41.96 14.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' CD1' HD13 ' A' ' 40' ' ' LEU . 18.3 mt -60.1 -53.36 58.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.3 mt -55.05 -38.14 45.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -76.21 -31.76 58.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.55 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 65.6 m -71.11 0.4 7.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp 68.89 46.1 0.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 29.5 m -122.96 -28.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.514 HD23 ' CE1' ' A' ' 28' ' ' HIS . 84.1 mt -133.91 149.01 70.58 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.573 0.702 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 54.1 Cg_endo -69.75 167.6 23.96 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.757 2.305 . . . . 0.0 112.332 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.6 p -73.83 -34.61 64.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -103.33 26.54 8.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.514 ' CE1' HD23 ' A' ' 24' ' ' LEU . 2.2 t-80 -51.28 -178.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -80.15 -31.3 38.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.7 m -68.73 -18.16 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.5 p -85.65 -23.53 27.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -51.59 154.87 1.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -67.56 -33.5 75.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 m -92.76 31.94 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -96.56 148.52 22.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' VAL . 48.7 mt-30 -141.99 160.47 40.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.585 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 6.7 m -34.22 -43.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.3 -58.12 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -39.97 -56.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 18' ' ' LEU . 48.4 tp -67.17 -30.8 70.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.07 -25.59 62.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 44' ' ' LEU . 27.3 mt-30 -77.06 -63.77 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -42.61 -23.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 42' ' ' GLN . 31.7 mt -102.62 -31.19 10.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -40.12 -39.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -58.23 -49.91 75.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.38 28.07 8.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.6 t -104.97 -38.83 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 55.5 tp -74.12 -50.61 18.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' LEU . 14.1 mt -36.47 -54.61 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 53.0 m -54.84 -42.24 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' LEU . 27.2 mt-30 -56.45 -47.38 79.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' GLN . 68.5 tp -37.57 -59.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.458 HD22 ' CE1' ' A' ' 93' ' ' PHE . 78.0 mt -58.37 -47.24 84.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -54.67 -26.77 35.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -78.54 -46.23 20.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.3 mt -68.3 -55.01 13.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -115.02 158.78 21.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.76 148.74 21.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 58.48 34.54 24.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 m -80.6 -44.4 19.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.2 mt -147.98 127.09 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -77.85 105.91 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 74.5 mt -43.96 -34.09 1.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -64.24 -39.18 93.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.64 -29.91 70.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.9 pt -100.55 140.24 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -76.33 105.79 7.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.4 mt -79.49 134.9 36.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 70' ' ' ARG . 16.2 ttm105 68.54 54.86 0.6 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.73 . . . . 0.0 110.877 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 70' ' ' ARG . 53.6 Cg_endo -69.74 -4.43 14.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.731 2.287 . . . . 0.0 112.336 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 46.35 39.95 7.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.2 mmt 63.36 45.49 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 75' ' ' GLN . 3.2 m -92.12 100.35 12.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.494 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 45.1 tt0 -34.47 -57.2 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -49.36 -55.91 11.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 78' ' ' CYS . 46.5 mt -66.79 -65.54 0.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 77' ' ' LEU . 85.6 m -34.55 -57.24 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.8 mt -50.79 -56.79 10.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.04 -55.01 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 82' ' ' ILE . 9.9 m-20 -48.38 -66.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 81' ' ' ASN . 83.7 mt -34.41 -51.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -52.63 -53.75 42.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.813 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.5 m -40.09 -42.33 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -64.22 -67.19 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.404 HD22 ' CZ ' ' A' ' 101' ' ' PHE . 7.0 mt -42.91 -28.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.1 m -64.68 -56.59 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -53.73 -37.71 63.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 73.0 m -49.52 -28.11 5.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 14.5 t -105.94 -24.79 12.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.93 -59.45 2.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 88' ' ' ALA . 86.2 m -63.76 -54.34 36.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.458 ' CE1' HD22 ' A' ' 54' ' ' LEU . 37.9 m-85 -92.71 -64.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.66 59.27 0.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.431 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 37.7 mtm -99.08 175.28 5.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -77.6 105.75 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -34.22 4.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.9 t -59.05 -35.23 72.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.92 -37.38 64.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 76.3 mt -52.83 158.79 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.469 ' CG ' HG21 ' A' ' 115' ' ' VAL . 42.9 p90 -88.3 170.5 10.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -91.15 126.07 36.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.58 -41.68 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 105' ' ' ASP . 12.0 t80 -61.94 -58.96 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 104' ' ' PHE . 80.5 m-20 -36.67 -40.49 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.7 tp -73.51 -52.61 12.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.494 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 22.5 t80 -57.18 -57.39 12.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 109' ' ' VAL . 1.7 t70 -78.81 10.23 3.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' ASP . 3.5 t 37.45 48.78 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -74.69 -66.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -127.58 94.93 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -65.95 -42.1 90.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -44.15 -34.39 3.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.7 mtpt -63.58 -37.01 85.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.469 HG21 ' CG ' ' A' ' 101' ' ' PHE . 61.8 t -71.79 -40.31 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 55.8 mt -58.23 -46.96 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -52.36 -49.96 63.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 98.3 m -44.3 -51.18 8.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.8 mt -62.13 -40.77 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.48 ' HA ' ' CD2' ' A' ' 136' ' ' PHE . 37.8 t -50.0 -38.47 37.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 122' ' ' LEU . 38.6 mtp180 -81.61 -53.23 6.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.434 HD12 ' CE2' ' A' ' 93' ' ' PHE . 32.0 tp -37.15 -51.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 89.9 p -42.53 -47.43 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 142' ' ' SER . 46.6 mmm-85 -42.57 -39.74 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 76.6 p -40.21 149.08 0.31 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.545 0.688 . . . . 0.0 111.159 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.08 11.29 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.242 . . . . 0.0 112.345 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.29 -45.31 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -65.23 -40.87 94.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.1 mt -73.27 -38.72 65.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.19 -43.69 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 42.9 p -62.35 -39.07 91.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.48 25.32 13.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.47 ' O ' ' C ' ' A' ' 134' ' ' ARG . 73.6 mt -83.02 138.23 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.362 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 133' ' ' ILE . 26.3 mmt180 -32.72 95.67 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 133' ' ' ILE . 54.0 Cg_endo -69.72 143.17 50.17 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.48 ' CD2' ' HA ' ' A' ' 120' ' ' SER . 37.0 m-85 -45.36 156.95 0.38 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.611 0.72 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.5 3.49 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.293 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 47.6 p -63.99 140.57 58.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -90.5 171.73 36.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -2.17 9.7 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.262 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.6 m -80.67 -45.29 17.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.415 ' HB2' ' NH1' ' A' ' 124' ' ' ARG . 67.2 m -41.31 141.05 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.523 -179.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 m -84.41 146.67 27.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -99.41 119.48 38.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.18 -174.64 49.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -119.9 -58.37 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.928 0.394 . . . . 0.0 110.887 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 7' ' ' GLY . 94.4 p -41.38 121.33 1.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -38.01 -80.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 ttp -98.3 116.93 31.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -73.66 157.06 88.05 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.642 0.734 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 0.49 5.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.638 2.225 . . . . 0.0 112.328 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.534 ' CD1' HG11 ' A' ' 37' ' ' VAL . 5.7 p-90 -95.81 -36.91 10.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -53.44 -48.92 68.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -69.15 -48.94 61.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.2 t -41.23 -45.86 2.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.21 -45.51 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -55.27 -66.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.546 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 30.1 t90 -42.03 -40.22 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 40' ' ' LEU . 20.6 mt -61.66 -52.53 63.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.2 mt -56.73 -36.33 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -77.89 -30.96 51.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.546 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 57.3 m -71.92 0.52 9.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt 67.76 50.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.443 HG22 ' N ' ' A' ' 24' ' ' LEU . 34.7 m -128.37 -29.92 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.649 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 67.4 mt -130.46 146.76 63.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.721 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.467 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.5 Cg_endo -69.7 154.88 67.43 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.0 p -65.32 -27.01 68.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -108.34 22.87 15.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.649 ' CE1' ' CD2' ' A' ' 24' ' ' LEU . 2.8 t-80 -49.25 177.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.08 -16.57 35.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.3 m -82.03 -13.49 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.0 p -83.01 -21.72 33.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -57.45 149.82 20.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -72.55 -15.34 61.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -101.3 21.55 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -95.11 158.64 15.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.077 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -139.22 162.14 35.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.534 HG11 ' CD1' ' A' ' 11' ' ' TRP . 2.7 m -37.89 -49.39 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.696 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 11.4 t80 -42.79 -62.55 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -38.49 -58.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 18' ' ' LEU . 51.6 tp -64.95 -24.42 67.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -78.96 -26.35 43.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.696 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 52.3 mt-30 -73.82 -56.62 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.4 t -45.33 -27.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.165 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 mt -102.92 -24.18 13.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -44.65 -31.91 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -53.9 16.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.19 19.24 9.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.48 -34.4 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' GLN . 20.7 tp -76.43 -52.39 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.99 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.549 HD23 ' CE2' ' A' ' 85' ' ' PHE . 12.0 mt -36.18 -56.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.7 m -52.4 -41.12 62.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' LEU . 25.8 mt-30 -57.18 -52.01 67.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 tp -38.64 -64.89 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.434 HD13 ' CD1' ' A' ' 62' ' ' ILE . 51.3 mt -51.17 -41.49 60.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 79.1 m-20 -64.33 -31.19 72.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -72.96 -44.4 61.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.65 -54.25 21.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -118.25 155.33 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.0 145.5 25.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 60.65 34.63 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -79.91 -43.38 22.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.493 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 36.6 mt -151.03 121.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -73.88 111.72 9.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.5 mt -47.95 -37.21 13.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -57.92 -40.33 80.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -62.4 -27.59 69.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 26.3 pt -103.56 138.9 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -70.46 91.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.9 mt -50.2 -18.05 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -128.22 87.47 55.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.609 0.719 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -10.77 29.36 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.309 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 42.44 43.86 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 66.4 mmm 44.94 53.89 7.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -115.95 143.16 45.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.525 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 33.9 tt0 -72.55 -41.13 66.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -63.94 -46.56 84.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.8 mt -71.4 -56.95 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 60.7 m -46.36 -57.86 4.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.3 mt -51.63 -55.85 16.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -49.01 -54.5 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 82' ' ' ILE . 61.4 m-20 -45.39 -66.93 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 81' ' ' ASN . 81.8 mt -34.98 -59.15 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -43.13 -53.42 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.5 m -42.55 -49.11 5.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.549 ' CE2' HD23 ' A' ' 50' ' ' LEU . 8.9 t80 -59.95 -51.01 71.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.7 mt -59.33 -28.98 67.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 87.5 m -63.85 -64.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -48.1 -42.62 29.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.3 m -43.63 -23.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.406 ' N ' ' C ' ' A' ' 88' ' ' ALA . 46.6 m -106.11 -23.07 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 88' ' ' ALA . 4.7 mt-10 -93.68 -64.62 1.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.9 m -64.92 -43.09 93.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.548 ' CD2' HD11 ' A' ' 122' ' ' LEU . 7.0 m-85 -97.1 -63.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.04 73.95 1.21 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 65.5 mtp -121.54 173.64 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.775 0.322 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.449 ' HB2' ' CG ' ' A' ' 99' ' ' GLU . 51.7 mtt85 -65.68 114.89 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -57.74 -31.83 66.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.0 p -66.57 -25.77 66.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.786 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.449 ' CG ' ' HB2' ' A' ' 96' ' ' ARG . 5.7 mm-40 -74.57 -41.65 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.2 mt -48.37 166.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.511 ' CG ' HG21 ' A' ' 115' ' ' VAL . 43.7 p90 -96.02 178.19 5.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -94.48 141.75 28.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.11 -44.17 61.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.499 ' CE2' ' HB2' ' A' ' 108' ' ' ASP . 4.3 t80 -72.37 -48.39 42.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -38.6 -35.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 23.7 tp -90.5 -47.79 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.525 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 11.3 t80 -51.36 -69.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.499 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 3.6 t0 -67.97 -9.17 43.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.0 t 66.87 37.05 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -61.31 -65.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -131.02 96.23 4.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -70.59 -36.38 73.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.48 -29.63 17.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -68.67 -36.23 78.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.511 HG21 ' CG ' ' A' ' 101' ' ' PHE . 20.8 t -73.93 -37.86 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 49.4 mt -61.23 -47.82 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -49.67 -51.75 35.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.2 m -43.84 -44.02 6.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.76 -31.32 64.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.1 t -60.29 -38.65 84.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -89.54 -34.51 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.548 HD11 ' CD2' ' A' ' 93' ' ' PHE . 44.6 tp -50.49 -49.18 56.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.453 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 79.9 p -43.32 -33.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.3 mtt-85 -52.72 -42.53 64.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 76.7 p -40.23 149.94 0.28 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.625 0.726 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -5.56 16.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.61 -38.89 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.453 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -70.51 -43.43 69.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 132' ' ' GLY . 54.3 mt -69.84 -39.33 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -39.69 -49.72 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 36.3 p -55.06 -36.9 66.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 100.37 20.36 15.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.6 mt -79.77 135.51 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -45.91 132.33 6.93 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 144.8 54.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -46.64 143.27 4.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.59 33.31 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.306 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.2 t -124.18 144.36 49.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -143.5 153.43 24.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 102.95 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.9 m -101.35 165.91 11.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 56.7 p -128.26 84.45 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.455 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -88.21 128.72 35.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.911 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -102.73 153.78 19.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -154.07 -138.35 2.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLY . 56.0 p 37.9 42.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.86 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -62.58 99.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.61 -63.47 3.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.7 ttm -125.59 120.59 31.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.763 0.315 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.88 154.89 0.18 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.636 0.731 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -19.94 35.58 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.72 2.28 . . . . 0.0 112.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.544 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 12.1 p-90 -95.66 -40.02 9.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.413 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 24.6 mmtt -43.87 -47.0 8.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -77.58 -36.39 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.4 t -51.54 -41.8 61.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.99 -42.81 8.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -59.06 -63.01 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 20.6 t90 -40.35 -43.43 1.76 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 40' ' ' LEU . 81.1 mt -58.57 -51.23 70.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.3 mt -58.12 -41.18 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -74.12 -26.98 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 89.1 m -79.03 7.96 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? 57.05 47.96 16.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.1 m -125.83 -25.2 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.514 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 74.4 mt -136.32 147.79 61.6 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.455 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.6 Cg_endo -69.75 148.95 66.28 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.688 2.258 . . . . 0.0 112.31 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.1 p -62.09 -22.71 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -110.55 20.59 17.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.561 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 2.5 t-80 -49.42 171.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.561 ' HD3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -81.08 -20.8 40.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 m -74.99 -22.95 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -69.99 -35.39 74.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -54.34 140.56 33.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.01 -48.78 77.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 m -47.69 -31.98 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.63 166.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -149.9 163.11 38.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.544 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 6.6 m -40.76 -41.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.678 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 9.8 t80 -54.57 -62.61 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' PHE . 60.5 m-20 -37.27 -58.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 18' ' ' LEU . 46.2 tp -62.15 -29.07 70.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -78.83 -13.35 59.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.678 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 42.1 mt-30 -87.66 -51.38 5.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -53.82 -20.02 5.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.9 mt -106.89 -21.6 12.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -47.12 -43.2 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.78 -49.35 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.8 26.08 8.73 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.9 t -107.33 -36.57 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.9 tp -76.08 -51.89 11.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -39.76 -50.91 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 99.9 m -55.84 -41.97 75.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' LEU . 23.6 mt-30 -57.87 -49.8 75.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 52' ' ' GLN . 24.1 tp -37.98 -53.22 1.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.7 mt -63.5 -45.33 91.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -58.09 -21.69 47.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -81.17 -48.64 11.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.7 mt -69.47 -51.42 36.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.445 ' CD ' HG21 ' A' ' 92' ' ' THR . 15.8 ttt-85 -114.76 155.92 25.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.599 ' O ' ' CD2' ' A' ' 60' ' ' HIS . . . -89.87 152.01 21.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 59' ' ' ALA . 28.3 p80 48.93 38.12 11.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.415 ' C ' HG13 ' A' ' 62' ' ' ILE . 1.1 m -80.38 -33.87 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.415 HG13 ' C ' ' A' ' 61' ' ' SER . 54.8 mt -156.1 127.47 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 66' ' ' GLU . 64.2 t-20 -76.89 106.12 8.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.5 mt -46.8 -30.11 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -73.33 -32.76 64.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' ASN . 18.8 mm-40 -69.98 -21.74 63.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 9.2 pt -106.56 130.98 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.153 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -65.21 100.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.69 -38.21 90.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.0 83.98 6.54 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.648 0.737 . . . . 0.0 110.847 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 2.18 3.81 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 39.59 34.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.8 mmt 58.65 49.79 9.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.1 m -118.44 134.98 54.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.505 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 51.5 tt0 -62.58 -63.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' GLN . 4.3 t80 -35.82 -48.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.7 mt -72.32 -57.54 4.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 10.4 t -44.1 -59.27 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 mt -46.68 -59.42 3.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 83' ' ' ARG . 1.2 tmmm? -50.18 -56.0 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 80' ' ' LYS . 62.9 m-20 -36.96 -50.49 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.5 mt -60.84 -37.78 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 80' ' ' LYS . 10.1 mmt85 -48.29 -62.76 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 m -39.6 -60.67 0.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -44.81 -51.29 9.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.7 mt -61.99 -29.01 69.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.0 m -74.75 -44.09 51.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.64 -21.13 66.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.4 m -68.44 -16.61 63.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 37.4 t -121.08 -18.36 7.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -95.02 -43.8 7.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.445 HG21 ' CD ' ' A' ' 58' ' ' ARG . 86.1 m -84.35 -44.71 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.507 ' CE2' HD12 ' A' ' 122' ' ' LEU . 35.3 m-85 -97.93 -61.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.03 64.22 0.81 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.546 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.403 ' SD ' ' CD ' ' A' ' 99' ' ' GLU . 10.1 ptp -110.44 -177.67 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.836 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -69.1 96.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -47.76 -19.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.8 m -77.84 -37.38 48.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.425 ' OE2' ' CD ' ' A' ' 121' ' ' ARG . 4.7 pt-20 -62.84 -30.43 71.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.403 ' CD2' ' SD ' ' A' ' 95' ' ' MET . 25.8 mt -52.4 166.38 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE2' HG11 ' A' ' 115' ' ' VAL . 41.5 p90 -99.5 166.69 11.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -81.5 131.7 35.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -45.92 -36.82 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 10.7 t80 -72.32 -51.55 20.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 105' ' ' ASP . 0.6 OUTLIER -38.23 -43.26 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.2 tp -79.1 -51.13 9.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.505 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 10.8 t80 -47.83 -59.02 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.415 ' C ' HG23 ' A' ' 109' ' ' VAL . 2.5 t70 -82.1 -12.24 58.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.415 HG23 ' C ' ' A' ' 108' ' ' ASP . 2.9 t 67.21 38.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -59.85 -62.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -132.22 91.49 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.458 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 14.0 t80 -62.23 -36.6 82.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.11 -36.27 7.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -67.61 -37.46 82.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.505 HG11 ' CE2' ' A' ' 101' ' ' PHE . 21.7 t -69.95 -38.47 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 41.6 mt -63.13 -48.6 86.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -50.99 -47.77 61.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.5 m -43.86 -44.52 6.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.1 mt -70.66 -44.28 67.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.515 ' HA ' ' CG ' ' A' ' 136' ' ' PHE . 1.8 m -45.18 -29.91 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.425 ' CD ' ' OE2' ' A' ' 99' ' ' GLU . 45.0 mtt180 -92.43 -52.32 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.507 HD12 ' CE2' ' A' ' 93' ' ' PHE . 34.6 tp -37.05 -41.78 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.42 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 59.6 p -54.48 -47.99 72.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 121' ' ' ARG . 24.4 mmt-85 -39.7 -31.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' A' ' 122' ' ' LEU . 58.7 p -51.58 151.1 6.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 0.0 111.108 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -5.37 16.09 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.313 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.6 mp -88.99 -33.04 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -82.22 -47.65 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.83 -35.17 80.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -48.63 -51.18 29.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 31.8 p -56.81 -37.64 71.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.47 19.57 20.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 134' ' ' ARG . 60.7 mt -75.27 137.7 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 133' ' ' ILE . 94.3 mtt180 -36.54 98.81 0.16 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.632 0.73 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 53.7 Cg_endo -69.74 141.96 46.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.296 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.515 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 23.7 m-85 -52.43 146.16 17.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.671 0.748 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 2.65 3.32 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.361 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.405 ' HB2' ' NH2' ' A' ' 124' ' ' ARG . 30.5 m -38.29 138.33 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 169.77 -172.13 43.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 127.94 15.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 50.5 m -114.41 142.39 46.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.8 t 47.17 45.4 16.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -102.41 171.24 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.885 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.6 m -84.81 168.75 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.54 -108.99 1.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -102.87 133.02 48.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 0.0 110.883 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.7 p -165.69 154.76 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.55 -109.14 0.2 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ttt -119.74 128.1 53.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.701 0.286 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -80.86 160.9 65.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -39.59 6.23 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.306 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.534 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 16.6 p-90 -60.33 -31.58 70.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -52.7 -68.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -56.6 -41.06 76.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.8 t -45.6 -43.14 11.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.28 -43.89 16.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -55.33 -63.28 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.541 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 43.5 t90 -40.06 -45.03 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 mt -58.47 -52.55 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.8 mt -53.26 -39.56 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -73.91 -38.28 64.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.541 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 58.1 m -65.63 -5.86 9.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt 72.47 51.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.3 m -127.63 -31.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.631 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 69.4 mt -128.44 148.79 69.54 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.604 0.716 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.546 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.81 156.54 62.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.24 . . . . 0.0 112.349 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.5 p -66.48 -27.97 68.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -105.89 18.72 21.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.631 ' CE1' ' CD2' ' A' ' 24' ' ' LEU . 2.8 t-80 -45.67 170.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -77.4 -47.23 20.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.5 m -50.82 -31.54 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 38.9 p -55.72 -44.69 77.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -50.43 145.73 6.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -65.75 -27.55 68.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 m -64.17 -35.82 82.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.88 159.38 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' VAL . 65.3 mt-30 -142.58 166.06 25.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.534 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 4.7 m -35.93 -40.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -57.47 -64.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -39.72 -56.44 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.4 tp -66.57 -22.67 66.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -80.54 -25.16 38.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -77.23 -53.45 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.2 t -46.5 -21.32 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' GLY . 12.9 mt -110.08 -27.67 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.971 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' LEU . 19.0 ttt180 -37.29 -44.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.45 -44.23 84.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 96.35 13.86 46.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.479 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.7 t -87.35 -33.42 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 111.184 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' GLN . 13.9 tp -77.28 -53.79 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.3 mt -35.96 -56.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.423 ' HA ' ' CD1' ' A' ' 62' ' ' ILE . 67.3 m -50.22 -41.9 50.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' LEU . 12.1 mt-30 -60.17 -53.19 60.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' GLN . 30.1 tp -36.17 -59.74 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.1 mt -58.3 -36.95 74.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' GLN . 90.0 m-20 -65.85 -24.53 66.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -78.53 -44.47 24.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.8 mt -68.39 -52.91 27.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.4 ttt-85 -117.66 159.3 23.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.31 143.47 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 62.33 31.43 17.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -75.19 -46.62 32.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.423 ' CD1' ' HA ' ' A' ' 51' ' ' CYS . 42.5 mt -143.09 121.3 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -70.21 107.84 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 84.7 mt -49.81 -29.18 7.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -71.38 -33.49 69.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -70.37 -21.73 62.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.0 pt -106.62 142.07 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.429 ' ND2' HD21 ' A' ' 77' ' ' LEU . 54.1 m-80 -74.81 89.95 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 mt -52.64 -29.47 26.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -122.38 80.95 45.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.583 0.706 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -15.82 37.46 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.751 2.301 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 47.04 41.2 10.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 29.9 mmt 57.28 49.04 13.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.6 m -104.01 113.87 27.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -51.13 -44.06 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -60.9 -60.57 3.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.429 HD21 ' ND2' ' A' ' 68' ' ' ASN . 71.6 mt -56.9 -62.46 1.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 77' ' ' LEU . 82.7 m -37.18 -59.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.7 mt -52.12 -43.24 63.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -51.32 69.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -50.4 -62.53 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.7 mt -37.76 -56.65 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -46.43 -48.08 18.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.6 m -47.91 -41.13 23.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -66.31 -53.99 30.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.481 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 30.8 mt -55.07 -30.74 60.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.2 m -73.36 -45.83 52.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.98 -18.3 59.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.4 m -69.74 -24.01 63.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 56.1 m -110.59 -17.63 13.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -92.3 -50.31 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.6 m -77.28 -55.43 5.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.47 ' CE2' HD11 ' A' ' 122' ' ' LEU . 13.2 m-85 -86.94 -58.39 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.3 65.52 0.9 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.1 ptp -111.75 -176.33 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -71.09 129.85 40.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -86.01 29.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.0 m -119.34 -28.88 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.27 -23.99 40.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 58.0 mt -51.76 161.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.481 ' CZ ' HD21 ' A' ' 86' ' ' LEU . 36.8 p90 -98.91 164.72 12.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -83.58 122.17 28.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -38.82 -40.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -64.59 -50.17 68.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -43.83 -36.35 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.7 tp -80.23 -57.8 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -45.68 -66.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.61 -4.11 14.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.2 t 56.67 33.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -54.72 -74.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -122.23 89.51 3.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -58.34 -38.63 77.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.66 -31.5 5.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -66.85 -36.97 83.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.1 -37.0 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 26.9 mt -62.35 -46.71 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -53.29 -51.65 61.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.3 m -40.29 -47.94 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.58 -40.14 95.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.451 ' HA ' ' CG ' ' A' ' 136' ' ' PHE . 45.7 t -52.63 -36.24 56.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.1 mtp85 -82.07 -47.68 12.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 93' ' ' PHE . 16.1 tp -48.72 -46.99 41.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 72.0 p -46.22 -24.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -68.0 -41.96 81.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 58.5 p -39.05 149.55 0.24 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 2.0 3.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.438 ' HB ' ' CE2' ' A' ' 93' ' ' PHE . 5.3 mp -96.69 -39.52 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.39 -40.74 50.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 73.8 mt -69.96 -36.36 75.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.77 -49.87 10.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.0 p -57.01 -34.43 68.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.9 23.56 25.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.474 ' O ' ' C ' ' A' ' 134' ' ' ARG . 57.1 mt -79.84 135.92 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.146 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 133' ' ' ILE . 47.5 mtp85 -32.23 95.71 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.634 0.73 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.2 Cg_endo -69.83 143.18 49.71 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.672 2.248 . . . . 0.0 112.299 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.451 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 23.4 m-85 -50.97 155.07 2.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.647 0.737 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 110.32 2.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.311 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 49.9 m -79.23 -41.34 28.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 125.89 158.62 10.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -27.22 26.82 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.6 t -61.28 135.11 57.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 60.0 p -130.92 122.4 26.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -132.19 -46.75 0.92 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 m -156.83 125.65 5.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.72 142.61 32.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -116.14 -51.22 2.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.838 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p 40.06 41.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.01 140.43 2.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 tpp -42.73 121.56 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -61.32 157.83 41.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -15.92 37.24 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.64 2.227 . . . . 0.0 112.332 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.515 ' CG ' HG13 ' A' ' 37' ' ' VAL . 6.5 p-90 -83.73 -33.77 25.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -52.19 -46.02 65.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -75.18 -41.66 57.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.6 t -47.87 -46.81 31.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.95 -43.75 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' TRP . 9.9 mm-40 -57.4 -66.73 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.542 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 30.1 t90 -35.79 -49.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.467 ' CD1' HD12 ' A' ' 40' ' ' LEU . 26.5 mt -54.68 -53.77 50.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.9 mt -53.32 -42.04 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -73.19 -31.97 64.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.542 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 56.0 m -72.85 2.04 7.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm 65.41 45.89 2.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.456 HG23 ' CD2' ' A' ' 18' ' ' LEU . 16.6 m -122.4 -25.48 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.627 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 86.6 mt -134.74 148.88 69.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.441 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 54.0 Cg_endo -69.73 166.91 25.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.331 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.9 p -74.46 -30.87 62.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -106.73 26.24 10.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.627 ' CE1' ' CD2' ' A' ' 24' ' ' LEU . 2.1 t-160 -50.8 -176.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HD3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -93.26 -18.55 22.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.4 -32.6 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.3 p -66.28 -37.38 85.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -51.95 134.77 31.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -51.63 -38.13 53.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -58.58 -43.28 89.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.76 162.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 37' ' ' VAL . 86.0 mt-30 -151.94 161.35 42.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.515 HG13 ' CG ' ' A' ' 11' ' ' TRP . 1.7 m -33.57 -49.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.08 -59.0 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -42.3 -59.56 1.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 18' ' ' LEU . 44.6 tp -62.42 -25.13 67.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.53 -20.67 43.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.079 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -81.58 -53.63 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.3 t -50.21 -25.08 3.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' ARG . 36.2 mt -101.61 -31.73 10.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 44' ' ' LEU . 16.5 ttt180 -37.25 -45.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -54.03 -50.19 67.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.91 26.81 7.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.5 t -102.12 -35.93 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 111.132 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 52' ' ' GLN . 45.5 tp -82.35 -49.72 9.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -37.43 -52.83 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.464 ' CB ' HD11 ' A' ' 62' ' ' ILE . 6.5 m -55.37 -42.55 74.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' LEU . 32.8 mt-30 -53.9 -50.46 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 52' ' ' GLN . 43.6 tp -36.16 -65.55 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.537 HD12 ' CD1' ' A' ' 85' ' ' PHE . 45.4 mt -52.12 -45.93 65.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -56.13 -30.57 62.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -75.45 -43.65 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.2 mt -68.62 -55.74 10.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.1 ttt85 -115.45 157.55 23.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.0 145.24 24.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 61.95 33.64 17.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.5 m -78.37 -44.57 24.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 63' ' ' ASN . 61.1 mt -147.85 144.57 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.156 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.466 ' N ' HG23 ' A' ' 62' ' ' ILE . 17.6 t-20 -95.45 110.9 22.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' HA ' ' CG1' ' A' ' 67' ' ' ILE . 95.0 mt -48.67 -43.91 37.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -54.67 -39.94 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -65.59 -24.57 67.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' A' ' 64' ' ' LEU . 15.0 pt -106.11 134.94 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -73.01 86.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.4 mt -45.05 -37.56 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.3 ttm-85 -119.57 83.18 27.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -19.79 35.81 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 60.1 39.44 19.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.8 mmt 60.38 41.81 15.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 m -96.55 120.35 36.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.532 ' HG3' ' CZ ' ' A' ' 107' ' ' PHE . 38.0 tt0 -57.8 -40.5 80.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -66.02 -58.6 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.3 mt -55.92 -47.94 76.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.0 m -55.19 -62.64 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.0 mt -46.81 -45.71 20.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -53.55 55.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -46.74 -58.32 3.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.7 mt -43.9 -50.33 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mtp-105 -51.9 -44.43 63.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.1 m -51.67 -50.19 60.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.537 ' CD1' HD12 ' A' ' 54' ' ' LEU . 23.9 t80 -58.81 -66.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.556 HD23 ' CE1' ' A' ' 101' ' ' PHE . 30.1 mt -38.05 -37.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 85.5 m -63.4 -54.26 39.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.02 -42.03 60.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 69.7 m -48.47 -21.77 0.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 9.6 t -113.32 -27.08 8.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.18 -54.18 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.8 m -72.63 -48.19 41.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -94.56 -69.28 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.92 56.15 0.59 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 12.1 ptm -104.46 172.76 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.722 0.296 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -65.05 116.76 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -58.48 -43.65 89.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.8 p -48.24 -34.68 10.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -66.56 -42.84 86.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.7 mt -47.96 168.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.556 ' CE1' HD23 ' A' ' 86' ' ' LEU . 37.4 p90 -97.01 176.83 5.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -92.84 142.7 27.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.82 -56.75 10.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 105' ' ' ASP . 7.6 t80 -59.1 -54.02 51.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -34.68 -43.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 33.5 tp -80.99 -44.26 18.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.532 ' CZ ' ' HG3' ' A' ' 75' ' ' GLN . 20.5 t80 -54.28 -56.3 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.77 18.66 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.0 t 39.11 36.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -56.45 -65.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -131.27 89.02 2.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -61.95 -39.37 91.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.88 -37.29 4.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -64.02 -37.21 86.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 37.3 t -71.2 -40.43 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.6 -48.58 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -52.1 -49.69 63.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 93.9 m -41.14 -50.22 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.9 mt -60.64 -44.15 96.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.509 ' HA ' ' CD1' ' A' ' 136' ' ' PHE . 11.0 t -49.96 -42.07 47.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -78.22 -40.87 36.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.2 tp -57.83 -34.28 69.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.8 p -59.56 -29.7 68.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 124' ' ' ARG . 5.4 mmm180 -60.16 -40.23 89.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 82.5 p -38.42 149.61 0.21 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.564 0.697 . . . . 0.0 111.153 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 1.62 4.28 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.633 2.222 . . . . 0.0 112.352 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.0 mp -97.31 -42.23 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.47 -39.77 81.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 49.7 mt -75.56 -36.25 60.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -46.29 -43.88 16.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 35.7 p -63.85 -37.29 86.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.6 27.22 11.84 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 134' ' ' ARG . 66.0 mt -85.38 142.14 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 133' ' ' ILE . 67.0 mtp180 -34.02 97.07 0.11 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.4 Cg_endo -69.79 156.05 64.25 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.639 2.226 . . . . 0.0 112.324 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.509 ' CD1' ' HA ' ' A' ' 120' ' ' SER . 16.7 m-85 -67.22 154.11 93.39 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.703 0.763 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 143.97 52.49 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.721 2.281 . . . . 0.0 112.302 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 79.7 p -82.05 -53.12 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 98.55 156.06 29.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.09 13.35 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.3 t -87.62 150.18 23.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 41.0 t -95.84 136.56 36.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 3' ' ' SER . 57.4 p -89.02 157.79 18.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.889 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 2' ' ' SER . 31.8 t -34.7 -59.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.52 58.66 1.7 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 t -139.78 108.98 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.351 . . . . 0.0 110.837 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p -144.8 143.78 30.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.44 -114.54 4.85 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.2 ttt -144.52 113.47 6.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.96 156.54 36.03 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -11.43 30.84 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.724 2.282 . . . . 0.0 112.346 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.536 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 6.8 p-90 -87.15 -37.97 16.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -48.97 -49.65 39.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -71.31 -43.61 66.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.8 t -43.87 -50.37 7.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -38.6 -44.14 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -56.58 -66.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.549 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 25.3 t90 -39.02 -44.94 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.465 ' CD1' HD12 ' A' ' 40' ' ' LEU . 51.9 mt -57.5 -53.82 53.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.1 mt -53.57 -40.77 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -74.17 -32.6 63.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.549 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 87.9 m -71.11 -0.54 9.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp 67.82 49.29 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.413 HG22 ' N ' ' A' ' 24' ' ' LEU . 27.8 m -125.13 -27.04 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.556 HD23 ' CE1' ' A' ' 28' ' ' HIS . 91.2 mt -133.77 151.94 77.9 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.492 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.6 Cg_endo -69.8 163.8 36.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.4 p -71.62 -29.7 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -105.56 21.71 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.556 ' CE1' HD23 ' A' ' 24' ' ' LEU . 2.3 t-160 -48.24 170.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.786 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -77.41 -43.72 31.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 m -51.26 -31.08 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 p -63.04 -42.39 99.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 14.3 m95 -49.57 128.38 17.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -48.97 -39.09 25.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.807 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 m -56.31 -40.39 74.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.414 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -46.5 163.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' VAL . 34.6 mt-30 -149.42 165.65 31.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.536 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 2.5 m -36.08 -51.26 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -46.84 -60.01 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.2 -59.98 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' A' ' 18' ' ' LEU . 33.4 tp -63.37 -27.4 69.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.56 -21.41 57.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -81.68 -55.72 4.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.2 t -48.41 -22.92 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.3 mt -104.14 -29.74 10.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -40.01 -41.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -57.26 -47.01 82.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.23 20.15 26.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.423 HG12 ' CD2' ' A' ' 69' ' ' LEU . 86.1 t -97.76 -31.22 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 111.095 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.4 tp -80.04 -45.52 18.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -40.27 -57.48 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 67.9 m -50.12 -42.85 51.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -56.32 -46.21 79.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.0 tp -42.76 -64.18 0.66 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.505 HD22 ' CE1' ' A' ' 93' ' ' PHE . 81.8 mt -55.71 -44.01 77.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 60.1 m-20 -60.53 -24.07 65.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -80.7 -45.11 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.1 mt -68.95 -51.4 40.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -116.9 157.77 25.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.18 140.03 30.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.6 m170 64.84 33.8 9.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -76.8 -45.88 27.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.453 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 68.5 mt -147.92 135.76 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 65' ' ' LYS . 22.8 t-20 -82.24 118.6 23.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.414 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 88.7 mt -55.14 -44.96 75.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.497 ' HD3' ' N ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -56.62 -35.16 67.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.85 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.95 -27.11 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.414 ' CG1' ' O ' ' A' ' 64' ' ' LEU . 21.5 pt -101.46 130.05 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -67.45 117.43 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.423 ' CD2' HG12 ' A' ' 48' ' ' VAL . 19.7 mt -94.4 133.97 37.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.438 ' N ' ' CD ' ' A' ' 71' ' ' PRO . 17.5 ttt180 72.68 54.81 0.32 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 70' ' ' ARG . 53.7 Cg_endo -69.79 2.88 3.15 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.31 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 48.03 33.9 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.9 mmt 63.06 50.0 3.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.9 t -83.88 -177.84 6.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.509 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 43.0 tt0 -107.33 -48.91 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -71.59 -47.27 55.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.84 -51.59 68.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 93.4 m -57.98 -61.43 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.9 mt -45.84 -46.29 15.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.52 -57.17 11.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -44.0 -61.68 1.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 87.9 mt -38.93 -55.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -47.01 -46.59 21.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.1 m -48.14 -41.44 26.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -66.26 -62.4 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.0 mt -45.62 -30.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.9 m -65.81 -56.08 13.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -55.02 -35.69 64.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.58 -21.56 17.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 44.8 t -112.4 -28.73 7.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -89.18 -54.0 4.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 88' ' ' ALA . 71.3 m -68.68 -58.15 4.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.505 ' CE1' HD22 ' A' ' 54' ' ' LEU . 6.6 m-85 -88.71 -66.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.59 60.51 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 25.2 ptm -104.68 165.78 10.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 96' ' ' ARG . 0.5 OUTLIER -56.91 101.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -50.21 -31.04 12.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.2 t -61.61 -31.17 71.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.421 ' CD ' ' HB2' ' A' ' 96' ' ' ARG . 45.5 mt-10 -71.39 -41.31 69.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.9 mt -45.89 165.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.478 ' CG ' HG21 ' A' ' 115' ' ' VAL . 54.0 p90 -98.13 -176.89 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -101.69 132.02 47.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -47.32 -43.92 23.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 105' ' ' ASP . 13.4 t80 -59.98 -62.4 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 104' ' ' PHE . 43.2 m-20 -34.75 -43.04 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 25.5 tp -70.87 -60.18 2.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.509 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 23.1 t80 -48.99 -58.57 4.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -77.56 4.16 11.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 13.7 t 41.29 50.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.075 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 110' ' ' ARG . 9.7 mtp-105 -77.5 -60.82 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.44 86.57 2.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -64.52 -40.21 95.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.83 -32.95 2.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -68.1 -37.73 81.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.478 HG21 ' CG ' ' A' ' 101' ' ' PHE . 42.3 t -68.98 -39.41 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 mt -59.39 -49.95 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -52.55 -47.58 66.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 96.8 m -42.78 -41.4 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.8 mt -73.29 -41.29 63.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.51 ' HA ' ' CG ' ' A' ' 136' ' ' PHE . 65.8 m -49.33 -38.75 29.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 37.7 mtt85 -81.85 -46.61 13.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.6 tp -45.29 -45.12 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 95.7 p -46.15 -34.65 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -52.28 -41.56 62.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 72.9 p -39.43 148.17 0.29 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -0.51 7.01 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.9 mp -94.67 -40.74 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.89 -42.32 73.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.1 mt -70.67 -38.26 73.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.2 -45.1 5.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 38.4 p -61.66 -37.51 84.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.61 26.15 12.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' A' ' 134' ' ' ARG . 56.3 mt -85.17 138.11 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 111.121 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 133' ' ' ILE . 65.5 mtp85 -32.77 96.13 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.5 Cg_endo -69.81 142.83 48.77 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.25 . . . . 0.0 112.341 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.51 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 35.5 m-85 -53.45 150.7 11.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.605 0.717 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 119.59 6.51 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.679 2.252 . . . . 0.0 112.363 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 18.5 m -72.64 179.85 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -109.47 164.61 12.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.538 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -45.48 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.5 t -100.04 145.23 28.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.8 m -106.09 -47.0 3.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -141.64 118.65 11.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.943 0.401 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 m -51.25 141.86 14.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.23 -122.48 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.45 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 t -38.52 152.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 0.0 110.803 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 7' ' ' GLY . 2.8 m -113.34 -48.81 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.7 -133.86 0.61 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.46 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ttt -123.6 109.16 13.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -57.24 152.11 32.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.72 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -13.12 34.3 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.715 2.277 . . . . 0.0 112.356 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.407 ' CZ2' ' HA ' ' A' ' 36' ' ' GLN . 7.5 p-90 -94.17 -29.16 15.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 17.8 mmtt -57.2 -42.53 81.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -80.31 -37.04 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.1 t -51.98 -48.42 64.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -39.81 -44.99 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -54.28 -63.59 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 16.7 t90 -42.57 -43.71 3.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 40' ' ' LEU . 95.6 mt -59.89 -52.42 65.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.6 mt -56.96 -37.89 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.439 ' HB3' ' CG2' ' A' ' 133' ' ' ILE . 20.2 m-70 -80.22 -24.54 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 57.4 m -79.69 11.38 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? 56.97 46.85 18.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 34.9 m -125.29 -26.96 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.589 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 89.0 mt -136.56 148.95 65.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.548 0.69 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.453 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.78 160.76 48.51 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.725 2.283 . . . . 0.0 112.348 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.6 p -70.34 -26.76 63.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -107.8 20.19 19.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.589 ' CE1' ' CD2' ' A' ' 24' ' ' LEU . 2.4 t-160 -46.49 170.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -78.01 -23.52 48.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 m -76.92 -12.9 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -80.74 -23.58 39.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -69.96 139.48 52.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -31.93 62.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.5 t -64.15 -32.11 73.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.824 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.412 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -62.75 159.57 16.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' VAL . 58.1 mt-30 -148.61 173.12 13.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 36' ' ' GLN . 2.7 m -36.18 -47.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -50.3 -62.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -40.18 -58.11 1.55 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 18' ' ' LEU . 56.5 tp -67.82 -20.95 65.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.512 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . . . -85.65 -11.53 53.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -87.74 -55.7 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.463 HG21 ' N ' ' A' ' 44' ' ' LEU . 5.9 t -47.08 -23.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' N ' HG21 ' A' ' 43' ' ' THR . 10.7 mt -99.52 -32.04 11.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -38.36 -42.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -61.4 -46.91 88.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.8 24.85 11.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.4 t -100.41 -29.86 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.843 0.354 . . . . 0.0 111.094 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' GLN . 38.7 tp -85.08 -54.13 4.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 49' ' ' LEU . 10.5 mt -35.17 -56.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.6 m -50.62 -44.19 57.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.0 mt-30 -53.87 -48.77 69.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.5 tp -40.62 -63.03 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.424 HD12 ' CD1' ' A' ' 85' ' ' PHE . 36.8 mt -54.09 -39.35 66.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -66.25 -24.89 66.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -79.5 -43.91 22.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.3 mt -69.79 -56.09 8.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.1 ttt85 -114.07 151.86 31.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.69 145.18 26.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 60.73 34.09 20.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 m -77.58 -45.99 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.6 mt -146.52 130.06 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -77.85 109.55 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 97.3 mt -49.85 -37.91 32.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 11.2 mptt -62.43 -37.56 86.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -65.17 -27.94 69.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.9 pt -101.24 138.07 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -71.2 89.1 0.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.85 -25.23 10.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.78 82.06 64.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -15.64 36.85 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.29 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 49.82 40.13 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.952 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.5 mmt 58.0 51.31 9.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 m -108.47 122.1 46.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -55.87 -42.03 75.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -63.61 -63.57 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.6 mt -54.79 -54.71 38.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 64.4 m -48.43 -55.49 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.3 mt -54.43 -45.68 73.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -57.36 -59.55 4.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.809 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' LYS . 30.0 m-20 -37.15 -59.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.5 mt -45.12 -50.44 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -55.08 -47.68 74.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 39.4 m -50.77 -37.2 40.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.464 ' CD2' ' N ' ' A' ' 86' ' ' LEU . 1.8 t80 -74.81 -60.08 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 85' ' ' PHE . 19.8 mt -42.44 -37.17 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 24.2 m -68.44 -50.85 49.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.98 -35.12 58.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.0 m -55.24 -14.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 91' ' ' GLU . 0.8 OUTLIER -119.07 -40.7 2.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.429 ' N ' ' SG ' ' A' ' 90' ' ' CYS . 12.2 mt-10 -72.04 -42.47 66.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 93.7 m -84.75 -48.88 8.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -94.01 -66.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.87 59.25 0.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 25.9 mtp -108.9 163.72 13.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.771 0.32 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.3 mmp_? -58.52 101.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.422 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 12.4 mtmm -44.15 -24.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 94.1 p -65.85 -43.25 89.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -59.4 -30.34 68.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.422 ' CD1' ' HA ' ' A' ' 97' ' ' LYS . 34.1 mt -55.97 166.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -103.89 164.02 11.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.456 ' N ' ' OD2' ' A' ' 105' ' ' ASP . 11.6 tt0 -70.35 153.09 43.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.6 -21.33 60.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 21.0 t80 -90.3 -51.25 5.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.456 ' OD2' ' N ' ' A' ' 102' ' ' GLU . 0.6 OUTLIER -38.15 -39.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.0 tp -77.82 -49.38 14.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -53.78 -58.35 7.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -79.25 2.89 19.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.1 t 50.33 35.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -56.44 -67.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -130.53 92.45 3.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.512 ' CD1' ' HB3' ' A' ' 41' ' ' ALA . 13.9 t80 -62.13 -33.41 74.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -47.53 -36.15 11.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -68.1 -35.37 78.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.1 t -72.31 -36.67 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.64 -53.59 37.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -45.71 -50.69 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.5 m -44.96 -46.08 10.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.15 -36.72 82.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.521 ' HA ' ' CD2' ' A' ' 136' ' ' PHE . 3.9 p -54.07 -40.32 67.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -80.92 -48.95 11.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.7 tp -40.07 -51.34 2.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 94.5 p -42.7 -41.45 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -45.06 -41.15 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 77.6 p -40.08 147.33 0.36 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.545 0.688 . . . . 0.0 111.129 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -0.55 7.02 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.71 2.274 . . . . 0.0 112.346 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.7 mp -94.99 -35.75 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.2 -44.84 51.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 42.7 mt -69.36 -39.1 78.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.52 -49.23 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.0 p -57.24 -36.67 71.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.74 22.34 21.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.439 ' CG2' ' HB3' ' A' ' 20' ' ' HIS . 55.7 mt -81.91 143.73 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -41.14 101.75 0.25 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.66 20.91 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.354 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.521 ' CD2' ' HA ' ' A' ' 120' ' ' SER . 27.3 m-85 -74.22 146.99 85.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.655 0.74 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 82.63 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 44.3 t -157.45 121.19 4.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -118.44 168.38 13.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -3.83 12.82 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 69.4 m -79.82 116.57 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.839 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.5 t -131.16 -50.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.4 m -96.38 132.01 42.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -78.0 -47.01 19.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.69 -78.4 0.88 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -135.0 102.8 5.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.887 0.375 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -118.33 122.07 41.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.47 -68.99 0.1 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.0 tpp -130.28 122.71 28.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.741 0.305 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.86 160.52 68.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -16.94 38.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.552 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 5.9 p-90 -82.21 -36.61 27.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -52.47 -49.39 64.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -69.68 -43.47 72.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.3 t -47.71 -39.88 18.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.8 -46.12 30.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -55.33 -64.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.54 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 36.2 t90 -39.27 -44.03 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 27.4 mt -58.38 -48.92 79.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 66.7 mt -57.27 -43.82 82.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -71.22 -31.43 67.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.54 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 56.2 m -69.6 -1.84 9.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.1 mmtt 68.9 49.26 0.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.458 HG22 ' N ' ' A' ' 24' ' ' LEU . 34.0 m -127.24 -29.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.57 HD23 ' CE1' ' A' ' 28' ' ' HIS . 82.5 mt -131.31 150.92 77.82 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.47 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.77 147.13 62.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.0 p -59.57 -25.58 64.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -110.22 25.45 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.57 ' CE1' HD23 ' A' ' 24' ' ' LEU . 2.9 t-160 -52.31 -179.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -84.0 -40.37 18.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.409 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . 16.3 m -55.05 -26.33 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.7 p -68.05 -30.53 69.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -63.26 125.3 23.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -42.7 -35.26 1.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.4 t -60.18 -40.31 89.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.409 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . . . -45.99 157.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.075 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' VAL . 40.2 mt-30 -144.51 163.41 33.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.552 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 2.4 m -36.14 -47.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.441 ' CE1' HG23 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -51.7 -60.48 3.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -42.28 -58.74 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.9 tp -64.39 -20.19 65.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.44 ' HB2' ' CD1' ' A' ' 112' ' ' PHE . . . -84.48 -20.68 31.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -81.23 -46.29 15.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.8 t -54.87 -20.75 9.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' ARG . 15.1 mt -106.4 -32.26 8.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 44' ' ' LEU . 19.1 ttt180 -35.63 -48.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.89 -53.35 53.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.98 20.49 10.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.4 t -95.75 -28.93 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 111.149 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.2 tp -85.45 -54.88 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' LEU . 13.0 mt -34.6 -59.4 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 54.8 m -47.23 -41.88 19.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' LEU . 25.1 mt-30 -57.53 -51.53 69.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' GLN . 46.3 tp -35.66 -57.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.526 HD11 ' CD2' ' A' ' 85' ' ' PHE . 74.9 mt -60.43 -43.33 96.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -60.28 -21.92 62.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -81.26 -41.76 21.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.5 mt -73.29 -54.27 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -116.67 152.78 33.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.14 148.55 25.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.8 m170 57.43 33.38 23.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.6 m -75.17 -41.81 57.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 57.0 mt -148.98 133.28 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' GLU . 46.3 t-20 -80.84 101.94 9.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.2 mt -42.42 -34.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -66.82 -38.41 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 63' ' ' ASN . 16.6 mt-10 -66.11 -16.89 64.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.1 pt -114.63 141.35 31.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -75.82 91.87 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.4 mt -52.83 -35.68 57.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -122.78 82.0 49.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -12.69 33.25 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.331 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 54.12 39.21 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 19.9 mmt 62.07 50.26 4.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -105.87 126.49 52.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -62.92 -38.41 90.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -69.46 -53.4 19.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.0 -45.29 94.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 41.1 m -60.32 -63.61 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.4 mt -43.12 -49.51 6.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -51.19 70.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -45.57 -60.59 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 68.3 mt -42.88 -47.97 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.2 mtt-85 -59.36 -43.81 92.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.2 m -51.87 -38.08 54.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.526 ' CD2' HD11 ' A' ' 54' ' ' LEU . 3.7 t80 -71.37 -52.32 19.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.7 mt -51.24 -30.2 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.4 m -67.87 -52.35 37.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.42 -34.02 66.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.9 m -61.56 -13.29 20.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 98.5 m -118.65 -23.82 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -93.69 -55.76 3.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.3 m -66.79 -59.89 3.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -85.2 -62.1 1.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.77 66.48 0.67 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 53.7 mtp -106.88 177.81 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.745 0.307 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -77.89 116.32 18.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -57.72 -31.77 66.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.9 m -66.9 -18.21 65.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -87.72 -37.23 16.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.2 mt -51.64 158.79 0.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.446 ' CD2' HG22 ' A' ' 115' ' ' VAL . 34.4 p90 -91.59 159.79 15.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -66.07 -178.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -94.63 -38.73 10.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.642 ' CZ ' ' CG ' ' A' ' 108' ' ' ASP . 8.8 t80 -74.47 -45.55 45.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' PHE . 3.3 p-10 -37.42 -41.55 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.8 tp -83.95 -52.01 6.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -46.64 -58.13 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.642 ' CG ' ' CZ ' ' A' ' 104' ' ' PHE . 1.2 m-20 -85.2 18.12 2.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.441 HG23 ' CE1' ' A' ' 38' ' ' PHE . 3.6 t 35.41 41.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -69.43 -68.7 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -119.21 84.76 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 41' ' ' ALA . 25.2 t80 -65.05 -37.32 87.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -47.81 -39.01 16.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -61.67 -35.73 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.446 HG22 ' CD2' ' A' ' 101' ' ' PHE . 38.5 t -72.34 -39.35 63.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 44.8 mt -58.24 -51.21 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.34 -40.82 75.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.0 m -45.79 -37.34 5.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 120' ' ' SER . 40.5 mt -73.99 -47.84 34.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.451 ' HA ' ' CG ' ' A' ' 136' ' ' PHE . 8.6 t -34.87 -46.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.498 ' O ' ' CD ' ' A' ' 124' ' ' ARG . 62.8 mtt-85 -72.69 -59.68 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 2.8 tp -42.04 -25.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 121' ' ' ARG . 3.8 p -79.6 15.55 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.498 ' CD ' ' O ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -110.41 -17.83 13.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 78.0 p -60.35 153.48 58.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 111.152 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.65 3.71 2.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.4 mp -107.18 -30.65 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.01 -37.08 55.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 132' ' ' GLY . 37.9 mt -78.07 -40.84 37.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -39.11 -38.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.7 p -64.82 -39.38 93.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 96.23 28.52 9.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.446 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 134' ' ' ARG . 30.2 mt -87.67 139.55 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 133' ' ' ILE . 89.8 mtt180 -34.13 97.11 0.11 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.568 0.699 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 133' ' ' ILE . 54.2 Cg_endo -69.73 146.92 61.83 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.739 2.293 . . . . 0.0 112.355 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.451 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 11.4 m-85 -59.2 148.22 72.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.659 0.742 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 174.55 9.37 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.2 t -67.55 85.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -75.37 170.19 54.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 122.83 9.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 11.3 t -160.84 117.58 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 37.8 m -68.23 172.52 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t 62.34 30.39 17.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.903 0.382 . . . . 0.0 110.877 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.2 p -111.59 114.26 27.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.04 -111.08 0.33 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.7 t 43.48 44.11 4.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.855 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 p -86.79 171.24 11.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.71 -125.11 28.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 tpp -107.69 139.22 42.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.735 0.303 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -53.97 147.42 24.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -15.44 37.14 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.629 2.219 . . . . 0.0 112.319 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.519 ' CD1' HG11 ' A' ' 37' ' ' VAL . 5.6 p-90 -88.87 -37.08 15.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.465 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 3.8 mmmp? -55.54 -47.57 76.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -70.52 -47.81 58.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.1 t -41.31 -42.16 2.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.73 -49.61 14.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -51.93 -61.79 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.534 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 29.2 t90 -46.21 -40.53 11.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.408 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 20.6 mt -63.03 -49.55 74.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.2 mt -57.45 -38.09 61.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -78.54 -29.57 46.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.534 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 52.4 m -71.49 0.88 7.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm 67.57 48.98 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 24' ' ' LEU . 33.8 m -127.97 -30.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.559 HD22 ' CE1' ' A' ' 28' ' ' HIS . 86.8 mt -129.79 148.03 67.83 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.625 0.726 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.443 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 54.1 Cg_endo -69.73 158.29 57.49 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.694 2.262 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.1 p -69.32 -23.5 63.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -111.14 22.04 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.559 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.4 t-80 -48.94 178.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.27 -6.9 43.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 m -87.15 -12.81 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.4 p -84.58 -21.61 30.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -66.66 130.09 42.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -45.05 -52.25 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 p -47.79 -34.87 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.404 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -46.47 160.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.08 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' HG3' ' C ' ' A' ' 35' ' ' ALA . 52.6 mt-30 -147.33 163.1 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.519 HG11 ' CD1' ' A' ' 11' ' ' TRP . 2.8 m -37.25 -48.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 12.1 t80 -47.58 -62.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' PHE . 1.4 m-20 -36.04 -58.91 0.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.4 tp -66.52 -29.59 69.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.564 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . . . -74.57 -20.65 59.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.091 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.638 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 44.5 mt-30 -78.99 -61.35 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.1 t -43.28 -23.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 42' ' ' GLN . 12.5 mt -105.92 -26.55 11.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 34.8 ttt180 -43.52 -36.53 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -67.81 -55.73 11.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.15 32.88 2.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.482 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.3 t -106.43 -30.63 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 52' ' ' GLN . 17.6 tp -85.52 -54.34 4.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.6 mt -34.36 -58.58 0.47 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 85.4 m -48.87 -41.97 35.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' LEU . 23.4 mt-30 -58.2 -52.18 66.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' GLN . 58.4 tp -34.22 -65.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 85' ' ' PHE . 59.8 mt -53.97 -46.83 71.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 73.9 m-20 -55.46 -30.77 61.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -74.83 -43.77 52.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.1 mt -67.68 -58.34 4.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -113.86 157.98 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.8 144.56 25.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 62.26 33.76 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -79.57 -45.19 19.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.444 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 65.9 mt -148.56 128.98 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -82.0 114.61 20.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 95.9 mt -52.57 -36.49 55.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -63.49 -36.86 85.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.62 -26.51 67.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 21.3 pt -102.58 138.92 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.457 ' OD1' ' ND2' ' A' ' 81' ' ' ASN . 0.3 OUTLIER -68.1 89.24 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.0 mt -47.14 -29.19 2.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -119.96 80.88 26.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.621 0.724 . . . . 0.0 110.845 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 72' ' ' GLN . 54.0 Cg_endo -69.79 -6.1 17.8 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 73' ' ' MET . 54.8 mt-30 36.02 54.59 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 72' ' ' GLN . 0.0 OUTLIER 34.83 49.37 0.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.1 m -94.14 177.82 5.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.417 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 27.3 tt0 -100.42 -36.97 9.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -80.32 -58.75 2.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.3 mt -52.29 -54.42 31.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.6 m -50.7 -66.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.2 mt -49.18 -39.57 29.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -56.9 15.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.457 ' ND2' ' OD1' ' A' ' 68' ' ' ASN . 40.4 m-20 -49.2 -63.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.422 ' CD1' HD21 ' A' ' 106' ' ' LEU . 85.0 mt -36.84 -58.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.181 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -43.68 -48.96 7.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.9 m -46.22 -44.96 16.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.444 ' CD1' HD13 ' A' ' 54' ' ' LEU . 2.8 t80 -62.25 -55.74 25.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.96 -28.46 16.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 37.2 m -73.75 -49.17 26.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.18 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.1 -32.88 71.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.78 -22.71 62.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.9 t -110.32 -22.27 11.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -92.13 -54.43 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.1 m -75.05 -46.55 34.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 122' ' ' LEU . 9.5 m-85 -93.23 -70.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 116.81 53.59 0.33 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 15.3 mtm -100.94 159.21 15.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.327 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -67.71 129.71 40.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -63.64 -32.52 74.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.5 m -66.71 -17.45 64.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -87.31 -35.38 18.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.7 mt -57.96 176.03 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.484 ' CD2' ' HA ' ' A' ' 115' ' ' VAL . 38.7 p90 -104.91 169.02 8.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 103' ' ' ALA . 13.1 tp10 -85.62 120.11 26.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 102' ' ' GLU . . . -34.5 -47.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.078 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 105' ' ' ASP . 13.2 t80 -59.34 -56.73 18.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 104' ' ' PHE . 55.7 m-20 -34.79 -38.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 82' ' ' ILE . 16.5 tp -79.99 -56.46 4.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.417 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 9.9 t80 -48.18 -67.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -69.59 -10.62 58.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 40.0 t 62.0 48.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -71.7 -63.78 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -130.41 100.02 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 41' ' ' ALA . 29.5 t80 -68.83 -43.15 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.34 -33.02 1.93 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -66.73 -37.52 84.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.484 ' HA ' ' CD2' ' A' ' 101' ' ' PHE . 41.2 t -73.47 -37.9 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 56.4 mt -62.36 -46.09 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 118' ' ' THR . 8.9 tp10 -51.73 -56.99 10.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 117' ' ' GLU . 59.8 m -36.19 -47.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.452 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 14.1 mt -67.82 -48.94 64.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.566 ' HA ' ' CD1' ' A' ' 136' ' ' PHE . 62.4 m -43.15 -42.9 4.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 4.1 ptp180 -83.37 -45.8 13.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.561 HD11 ' CD2' ' A' ' 93' ' ' PHE . 16.3 tp -40.08 -45.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.465 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 84.1 p -44.63 -43.31 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 125' ' ' THR . 0.4 OUTLIER -42.01 -38.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.462 ' N ' ' HD2' ' A' ' 124' ' ' ARG . 60.3 p -44.82 148.94 0.87 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 111.148 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 1.56 4.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.313 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.4 mp -95.33 -48.54 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -61.29 -47.36 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 29.7 mt -68.29 -36.26 79.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -45.76 -49.24 15.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.7 p -56.79 -36.59 70.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 97.86 22.57 15.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 63.4 mt -81.57 145.51 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 111.138 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 44.3 mmt-85 -47.87 107.55 0.76 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.563 0.697 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 140.94 43.97 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.358 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.566 ' CD1' ' HA ' ' A' ' 120' ' ' SER . 46.3 m-85 -44.32 153.79 0.43 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.63 0.728 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.18 53.22 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.24 . . . . 0.0 112.34 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.1 t -125.3 125.73 43.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -169.86 179.4 42.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 85.45 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.1 t -98.45 161.11 13.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.3 p -48.28 136.85 11.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -69.71 90.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p -86.98 120.06 27.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.64 -103.18 0.88 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t 65.24 46.35 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.93 0.395 . . . . 0.0 110.843 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -120.26 82.08 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.72 -48.94 4.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.442 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.2 tpt -91.07 120.4 32.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.696 0.284 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.575 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 0.4 OUTLIER -58.16 157.87 15.44 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.664 0.745 . . . . 0.0 110.865 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -34.52 14.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.742 2.294 . . . . 0.0 112.324 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.575 ' CD1' ' HB3' ' A' ' 9' ' ' GLU . 48.1 p-90 -72.09 -42.55 66.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.568 ' HE2' ' CH2' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -34.21 -56.3 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -68.48 -42.47 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.0 t -45.23 -50.62 11.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -38.46 -51.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -47.67 -63.66 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.545 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 20.6 t90 -44.75 -47.95 10.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 27.3 mt -55.95 -51.7 66.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.6 mt -55.21 -42.64 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -74.84 -27.95 60.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 61.9 m -73.65 3.31 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp 65.7 45.06 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 34.8 m -123.25 -28.27 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.618 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 85.3 mt -134.48 151.49 76.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.507 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.73 168.55 21.2 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.405 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.5 p -76.24 -30.33 57.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -106.23 23.37 14.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.618 ' CE1' ' CD2' ' A' ' 24' ' ' LEU . 1.9 t-160 -48.55 169.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . 4.8 ptp180 -74.91 -45.97 39.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 26.7 m -48.61 -37.0 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.3 p -53.62 -47.44 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -53.35 126.04 19.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.12 -52.24 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.3 m -38.87 -40.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.404 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -53.58 161.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.095 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' VAL . 63.6 mt-30 -149.15 164.2 35.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.567 HG12 ' CD1' ' A' ' 11' ' ' TRP . 1.8 m -33.79 -48.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.98 -61.33 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -42.75 -60.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.448 HD13 ' CD1' ' A' ' 18' ' ' LEU . 46.8 tp -59.62 -29.73 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.498 ' HB1' ' CD1' ' A' ' 112' ' ' PHE . . . -73.91 -26.85 60.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' LEU . 26.5 mt-30 -74.3 -59.42 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -42.62 -24.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 45' ' ' ARG . 6.4 mt -104.81 -31.76 9.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 44' ' ' LEU . 12.8 ttt180 -36.46 -43.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -58.0 -50.44 73.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.15 26.35 7.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.465 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.1 t -101.72 -33.61 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.8 tp -81.85 -45.36 15.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -40.89 -57.99 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 68.9 m -50.22 -43.09 52.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -56.02 -46.36 78.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.0 tp -41.18 -64.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.7 mt -55.6 -45.85 77.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -56.79 -29.31 62.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -75.95 -44.82 38.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.74 -56.41 9.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -114.24 158.99 20.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.08 143.91 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 62.24 34.87 15.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.9 m -78.82 -42.4 27.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 58.8 mt -151.73 128.1 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -78.06 108.22 11.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.9 mt -45.34 -37.81 5.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -61.49 -38.18 86.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -64.52 -26.89 68.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.8 pt -100.65 137.69 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -70.85 87.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.5 mt -47.16 -29.44 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.32 81.52 22.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -16.79 37.71 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.383 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 50.27 40.85 23.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 29.6 mmt 47.97 42.56 16.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.1 m -87.53 176.87 7.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 11.3 tt0 -102.86 -51.44 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -65.06 -44.3 89.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.2 mt -67.18 -57.84 5.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.9 m -49.42 -59.72 3.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.4 mt -46.71 -47.37 20.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -60.16 4.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -38.48 -61.61 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 71.2 mt -41.05 -53.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.115 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -51.86 -51.59 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.8 m -42.5 -45.07 4.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 86' ' ' LEU . 2.4 t80 -64.22 -57.34 9.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.477 HD21 ' CE1' ' A' ' 101' ' ' PHE . 18.2 mt -50.3 -29.93 10.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 24.7 m -70.14 -48.27 58.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.09 -36.35 74.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.66 -16.6 27.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.3 t -113.84 -27.81 7.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -90.71 -52.87 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.5 m -72.08 -50.52 27.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.405 ' CE2' HD13 ' A' ' 122' ' ' LEU . 15.8 m-85 -85.94 -65.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 119.61 37.39 0.78 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 14.4 mtm -95.01 159.14 15.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -69.46 -178.26 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -110.19 -27.39 9.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.0 t -58.77 -23.81 60.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -92.19 -27.43 17.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.65 169.67 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.558 ' CD2' HG23 ' A' ' 115' ' ' VAL . 39.4 p90 -111.05 154.5 24.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -61.58 175.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.27 -33.71 14.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.433 ' O ' ' C ' ' A' ' 105' ' ' ASP . 27.7 t80 -75.71 -54.16 7.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 104' ' ' PHE . 30.1 p-10 -34.37 -41.64 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 tp -79.1 -44.55 21.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 29.1 t80 -55.02 -52.78 62.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.88 16.78 8.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.45 ' O ' ' CG1' ' A' ' 109' ' ' VAL . 43.6 t 41.87 36.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -59.18 -54.56 45.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -143.21 114.48 7.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.498 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 24.5 t80 -84.41 -40.39 17.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.88 -34.06 2.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.458 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -69.09 -38.6 79.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.558 HG23 ' CD2' ' A' ' 101' ' ' PHE . 40.3 t -69.75 -40.44 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 57.6 mt -58.11 -52.57 56.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -47.36 -45.4 24.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.4 m -48.08 -48.3 33.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.28 -43.62 92.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.4 t -51.35 -42.59 61.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -75.27 -30.16 60.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.405 HD13 ' CE2' ' A' ' 93' ' ' PHE . 24.8 tp -69.14 -54.12 16.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.4 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 28.9 p -43.06 -44.75 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -46.34 -41.3 13.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 62.4 p -40.54 150.63 0.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.583 0.706 . . . . 0.0 111.173 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.96 22.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.3 mp -86.3 -40.05 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.4 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -69.45 -43.94 72.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 43.7 mt -70.34 -36.43 74.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.48 -47.98 5.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.3 p -56.47 -36.17 68.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 98.96 23.3 11.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 56.0 mt -84.45 137.69 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -47.91 115.84 4.24 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.623 0.725 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 140.63 43.17 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.347 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.495 ' O ' ' CG ' ' A' ' 136' ' ' PHE . 3.0 p90 -132.44 121.19 17.28 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.677 0.751 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -165.85 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.1 t -76.04 -59.11 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -126.52 178.92 16.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 1.85 4.1 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.267 . . . . 0.0 112.305 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 33.4 m -103.09 148.03 26.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.5 t -122.24 -44.11 2.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 m -90.47 152.61 20.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -75.54 143.56 42.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.37 99.72 0.19 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -72.49 135.02 45.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -170.59 115.13 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.08 -168.68 18.17 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.539 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.9 ttp -94.08 95.1 8.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.744 0.307 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.574 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 4.1 mm-40 -47.62 161.9 0.32 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.682 0.753 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -44.29 2.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.258 . . . . 0.0 112.327 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.574 ' CD1' ' HB3' ' A' ' 9' ' ' GLU . 37.7 p-90 -63.16 -37.58 87.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.572 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 4.8 mmpt? -34.76 -68.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -55.79 -45.55 78.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.3 t -45.74 -49.05 15.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.3 -50.47 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -52.04 -62.22 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.531 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 30.7 t90 -45.06 -44.67 10.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 40' ' ' LEU . 64.6 mt -56.59 -54.35 46.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.3 mt -52.91 -44.76 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -69.57 -33.12 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.531 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 74.7 m -68.9 -3.46 12.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt 70.69 48.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.6 m -124.46 -29.51 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.562 HD23 ' CE1' ' A' ' 28' ' ' HIS . 51.2 mt -133.32 151.66 77.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.492 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.4 Cg_endo -69.75 171.45 14.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.691 2.26 . . . . 0.0 112.322 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.9 p -79.91 -24.04 41.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -110.29 23.35 14.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.562 ' CE1' HD23 ' A' ' 24' ' ' LEU . 1.9 t-80 -52.61 173.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -80.53 -41.58 23.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.4 m -50.87 -38.2 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.4 p -56.95 -43.88 82.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -50.93 134.13 26.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -53.63 -45.81 70.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.0 p -50.31 -24.82 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.52 157.35 36.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' VAL . 33.2 mt-30 -141.46 165.4 27.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.562 HG12 ' CD1' ' A' ' 11' ' ' TRP . 2.2 m -34.9 -45.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.686 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 11.4 t80 -48.39 -62.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -39.69 -55.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.457 HD11 ' CD1' ' A' ' 18' ' ' LEU . 64.3 tp -66.34 -23.85 66.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -81.9 -23.55 36.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.686 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 49.2 mt-30 -75.97 -49.67 17.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.3 t -54.83 -25.15 26.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' ARG . 14.4 mt -103.64 -28.41 11.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' LEU . 30.2 ttt180 -37.68 -41.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -63.96 -54.93 26.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.93 25.72 5.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.6 t -99.7 -37.49 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.119 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.9 tp -78.62 -46.38 19.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.8 mt -41.76 -46.72 3.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.7 m -61.79 -41.06 97.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 53' ' ' LEU . 25.1 mt-30 -56.68 -49.29 75.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' GLN . 35.7 tp -37.43 -61.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.483 HD22 ' CE1' ' A' ' 93' ' ' PHE . 78.7 mt -56.3 -40.27 74.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.07 -24.19 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -79.26 -44.78 21.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.4 mt -72.56 -54.51 8.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 1.7 ttp180 -111.47 162.48 15.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.65 143.6 29.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 63.56 25.53 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -70.1 -40.92 74.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.7 mt -152.42 127.43 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 66' ' ' GLU . 52.0 t-20 -80.46 109.94 15.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.0 mt -44.17 -33.51 1.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -66.23 -37.04 84.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' ASN . 8.3 mt-10 -66.15 -17.13 64.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.2 pt -113.35 128.75 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -67.45 107.52 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 mt -83.15 136.29 34.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.449 ' N ' ' CD ' ' A' ' 71' ' ' PRO . 31.5 ttm-85 73.56 54.3 0.28 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.638 0.733 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 70' ' ' ARG . 53.7 Cg_endo -69.79 2.9 3.13 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 44.76 44.09 7.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.492 ' N ' ' SD ' ' A' ' 73' ' ' MET . 0.0 OUTLIER 49.8 46.17 24.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.1 t -83.38 -179.91 7.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -103.68 -40.39 6.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -77.98 -41.61 35.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.18 -64.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 68.9 m -43.65 -61.03 1.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.5 mt -43.3 -61.76 1.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -48.79 -58.4 4.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -38.51 -62.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.9 mt -39.81 -62.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -37.75 -49.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 51.8 m -45.9 -61.74 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -49.11 -50.68 36.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.5 mt -56.8 -34.42 67.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.1 m -69.4 -46.96 65.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.48 -35.85 74.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.9 m -60.75 -14.72 23.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 45.3 t -113.44 -22.17 10.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -94.85 -55.07 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.46 ' CG2' ' HD3' ' A' ' 58' ' ' ARG . 87.8 m -70.8 -50.94 30.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.483 ' CE1' HD22 ' A' ' 54' ' ' LEU . 6.2 m-85 -92.27 -68.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.93 61.47 0.43 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 59.3 mtp -102.71 166.74 10.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -73.87 119.11 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -48.06 -35.22 10.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.6 t -64.19 -31.5 72.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -69.68 -38.16 76.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.43 177.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -112.32 166.93 10.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -80.73 132.59 35.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.58 -38.16 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' ASP . 17.8 t80 -68.01 -60.79 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 104' ' ' PHE . 7.5 m-20 -34.47 -42.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.4 tp -74.33 -47.36 34.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' PHE . 9.0 t80 -59.18 -58.5 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -78.28 7.55 6.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.2 t 40.81 47.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 12.4 mtp-105 -73.03 -58.88 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -131.21 95.24 3.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -68.14 -41.15 82.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.62 -36.1 1.55 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -64.87 -38.66 91.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 44.2 t -71.17 -36.33 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 50.8 mt -62.49 -53.44 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -51.23 -51.69 51.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 55.9 m -38.09 -48.52 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.5 mt -63.87 -47.44 80.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.4 ' HA ' ' CD2' ' A' ' 136' ' ' PHE . 43.0 t -45.37 -38.79 6.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 122' ' ' LEU . 89.1 mtt180 -79.77 -57.33 3.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 121' ' ' ARG . 14.4 tp -36.02 -45.08 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 78.7 p -44.48 -47.29 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -42.23 -36.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 70.1 p -47.28 146.69 3.03 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.616 0.722 . . . . 0.0 111.147 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 0.66 5.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.48 -38.89 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.04 -48.21 46.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.3 mt -65.54 -35.62 81.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.3 -51.77 6.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 29.5 p -53.87 -37.67 63.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 101.66 19.31 15.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 71.3 mt -76.67 135.74 26.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 0.0 111.15 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -44.06 121.73 3.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 141.89 46.65 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.612 ' CB ' ' CD ' ' A' ' 137' ' ' PRO . 2.3 m-85 -43.77 -69.02 0.24 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.731 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.612 ' CD ' ' CB ' ' A' ' 136' ' ' PHE . 53.7 Cg_endo -69.76 -168.88 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 33.0 p -58.71 -57.7 11.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 147.74 -171.18 28.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.456 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.47 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.365 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.8 t 61.41 43.58 10.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 78.9 p -120.86 -53.01 2.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.7 m -99.97 -55.73 2.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 110.804 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -58.39 -56.79 17.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.84 97.04 1.64 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -52.16 139.23 24.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 m -122.16 113.29 19.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.04 -91.22 0.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.428 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 tpp -141.63 130.62 23.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.717 0.294 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.413 ' HB2' ' CG ' ' A' ' 12' ' ' LYS . 36.4 mm-40 -54.82 154.33 9.71 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.627 0.727 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -31.61 19.95 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.653 2.235 . . . . 0.0 112.317 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.59 ' CZ2' ' HE3' ' A' ' 12' ' ' LYS . 12.5 p-90 -76.87 -48.78 17.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.59 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 2.4 mmpt? -39.01 -58.07 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.495 ' OE1' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -65.72 -34.44 78.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.495 ' N ' ' OE1' ' A' ' 13' ' ' GLN . 36.6 t -53.64 -44.25 69.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.79 -48.18 10.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -49.21 -58.26 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.505 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 22.0 t90 -48.83 -46.33 41.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.466 ' CD1' HD12 ' A' ' 40' ' ' LEU . 85.7 mt -55.57 -52.86 62.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.1 mt -52.73 -42.97 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.08 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -71.24 -36.81 71.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.505 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 88.9 m -66.75 -4.35 8.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt 70.38 49.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 m -125.47 -27.35 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.089 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 28' ' ' HIS . 92.0 mt -132.28 147.74 66.92 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 0.0 110.942 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.479 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.9 Cg_endo -69.75 161.89 44.19 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.741 2.294 . . . . 0.0 112.35 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.8 p -70.06 -31.23 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -105.23 24.96 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.566 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.0 t-160 -51.58 173.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -83.08 -39.5 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.47 -33.08 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.8 p -59.47 -46.43 88.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -52.37 134.17 34.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.86 -50.33 26.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 m -40.34 -35.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.89 166.01 2.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 37' ' ' VAL . 81.3 mt-30 -152.09 165.26 35.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.502 HG11 ' CG ' ' A' ' 11' ' ' TRP . 1.9 m -33.87 -44.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.682 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 11.6 t80 -52.35 -62.29 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 38' ' ' PHE . 3.7 t0 -36.77 -59.15 0.7 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 18' ' ' LEU . 43.3 tp -61.76 -32.42 72.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -74.33 -22.85 59.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.052 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.682 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 41.5 mt-30 -78.25 -57.25 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.2 t -47.14 -23.02 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.5 mt -103.89 -30.66 10.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' LEU . 29.3 ttt180 -37.45 -37.42 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.52 -47.79 80.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 98.85 23.05 12.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.8 t -101.63 -32.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 111.095 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 52' ' ' GLN . 61.2 tp -81.27 -54.03 5.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.438 ' CD1' HD21 ' A' ' 106' ' ' LEU . 12.8 mt -35.22 -52.93 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 57.0 m -55.08 -42.62 73.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 49' ' ' LEU . 31.0 mt-30 -53.7 -45.54 70.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.4 tp -43.26 -61.84 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.4 mt -54.44 -40.79 68.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 71.1 m-20 -63.97 -25.57 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -77.55 -47.99 18.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.24 -55.08 24.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.9 ttt85 -116.92 157.43 25.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.26 143.91 26.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 61.52 35.84 17.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.7 m -79.96 -44.2 20.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.458 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 52.9 mt -146.32 120.94 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -71.5 108.68 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.1 mt -47.68 -35.81 10.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -63.52 -34.16 77.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -68.15 -23.19 64.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.5 pt -105.47 134.15 47.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -72.77 89.33 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.7 mt -51.7 -37.05 49.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -112.49 87.3 9.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.609 0.718 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -29.52 23.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.381 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 59.97 35.26 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 16.4 mmt 61.57 50.78 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 75' ' ' GLN . 2.8 m -115.88 92.71 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 74' ' ' SER . 33.2 tt0 -35.62 -48.21 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -51.58 -50.27 60.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.39 -56.28 6.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.2 m -44.51 -56.98 3.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.5 mt -52.62 -48.06 66.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -55.63 -56.33 21.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -42.93 -59.29 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.7 mt -41.83 -61.02 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -40.31 -54.63 2.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.4 m -39.08 -57.51 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.148 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -53.89 -58.69 6.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.7 mt -51.17 -31.38 19.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.3 m -70.31 -57.8 4.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -48.09 -46.34 33.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 3.5 m -43.6 -23.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 88' ' ' ALA . 42.5 t -105.98 -25.06 12.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 88' ' ' ALA . 4.7 mt-10 -89.69 -57.33 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.7 m -68.4 -49.1 62.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.01 -67.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.77 57.55 0.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 74.2 mtp -98.63 -177.99 3.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.761 0.315 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -89.0 114.83 26.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -49.29 -38.58 27.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.2 t -54.62 -33.95 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -72.54 -37.6 68.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.8 mt -53.55 163.6 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.467 ' CE2' HG12 ' A' ' 115' ' ' VAL . 43.1 p90 -93.83 165.38 12.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.08 141.91 43.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.89 -30.88 62.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 105' ' ' ASP . 9.4 t80 -79.75 -55.51 4.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 104' ' ' PHE . 0.9 OUTLIER -34.66 -43.66 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.438 HD21 ' CD1' ' A' ' 50' ' ' LEU . 16.3 tp -75.08 -45.82 38.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 104' ' ' PHE . 9.7 t80 -58.92 -57.77 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' VAL . 1.1 m-20 -87.72 15.1 7.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' ASP . 5.6 t 35.32 50.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -78.33 -62.5 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 105' ' ' ASP . 1.1 m-20 -120.32 69.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -47.74 -33.82 7.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.69 -51.68 5.64 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -48.96 -34.52 13.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.467 HG12 ' CE2' ' A' ' 101' ' ' PHE . 17.0 t -75.15 -39.09 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 55.1 mt -67.08 -49.57 72.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -57.36 -51.69 68.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 55.3 m -39.44 -51.73 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.485 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 31.5 mt -57.02 -45.37 83.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.556 ' HA ' ' CD1' ' A' ' 136' ' ' PHE . 23.2 t -45.08 -45.13 10.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 32.1 mtt-85 -72.82 -53.41 11.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 123' ' ' SER . 10.5 tp -38.75 -52.26 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.464 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 60.5 p -37.55 -42.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 125' ' ' THR . 12.7 mmm180 -46.99 -46.3 21.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 124' ' ' ARG . 80.3 p -35.68 147.28 0.17 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 111.155 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -1.22 8.09 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.3 mp -97.08 -36.9 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -71.22 -40.78 70.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 132' ' ' GLY . 52.7 mt -73.87 -38.65 64.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.71 -46.88 3.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.2 p -60.63 -33.87 73.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 90.28 26.62 23.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 134' ' ' ARG . 41.2 mt -83.43 142.98 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 133' ' ' ILE . 36.1 mtp85 -33.78 96.92 0.11 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.7 Cg_endo -69.79 144.17 53.01 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.556 ' CD1' ' HA ' ' A' ' 120' ' ' SER . 20.5 m-85 -57.89 151.74 42.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 149.73 67.27 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.335 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.9 m -159.34 152.13 21.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -41.41 151.14 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 141' ' ' SER . 53.7 Cg_endo -69.78 -42.84 3.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.322 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 140' ' ' PRO . 23.8 m -34.88 -47.77 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.5 t -63.16 131.23 47.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m -49.61 -58.71 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -94.7 108.84 20.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.45 -115.06 1.01 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.453 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.3 p -136.48 167.61 21.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -116.38 80.42 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.13 -179.38 52.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.9 tpp -51.39 112.16 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.732 0.301 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.77 156.46 2.39 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.636 0.731 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -10.42 28.54 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.737 2.291 . . . . 0.0 112.328 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.54 ' CD1' HG11 ' A' ' 37' ' ' VAL . 6.4 p-90 -88.59 -31.0 18.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -55.84 -47.32 77.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -73.83 -41.64 62.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.1 t -50.75 -39.88 53.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.05 -47.09 33.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -53.0 -62.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.536 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 24.2 t90 -38.84 -46.83 1.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.423 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . 22.8 mt -57.27 -52.02 67.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 61.3 mt -54.6 -43.85 66.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -73.92 -28.09 61.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.536 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 50.5 m -73.19 2.37 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 66.02 45.87 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.445 HG23 ' N ' ' A' ' 24' ' ' LEU . 27.7 m -123.4 -28.27 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.564 HD22 ' CE1' ' A' ' 28' ' ' HIS . 88.0 mt -133.69 151.5 77.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.704 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.459 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.6 Cg_endo -69.7 157.25 61.15 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.367 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -66.52 -29.9 70.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -105.75 24.96 11.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.564 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.3 t-160 -52.67 -179.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -86.4 -33.64 20.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 m -64.08 -16.58 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.1 p -79.14 -26.79 42.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -66.6 138.27 57.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -56.76 -29.39 62.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.3 m -66.57 -30.38 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.44 159.52 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.467 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . 72.8 mt-30 -148.56 166.73 27.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.54 HG11 ' CD1' ' A' ' 11' ' ' TRP . 2.3 m -33.96 -48.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.54 -59.42 4.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.2 -58.28 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.8 tp -67.57 -18.17 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.517 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . . . -84.15 -27.58 28.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -75.12 -52.81 10.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.9 t -47.97 -25.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.4 mt -102.53 -29.31 11.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -41.31 -36.53 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -62.56 -53.51 53.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.78 24.24 7.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -102.47 -35.76 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 111.142 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.8 tp -78.0 -55.64 5.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.6 mt -35.28 -58.74 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.3 m -47.85 -42.23 25.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' LEU . 25.9 mt-30 -57.14 -51.88 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' GLN . 47.7 tp -34.54 -61.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.2 mt -57.91 -40.64 80.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' GLN . 71.0 m-20 -62.88 -23.74 67.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -80.83 -49.03 11.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.7 mt -64.37 -52.66 57.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 59' ' ' ALA . 19.6 ttt-85 -117.13 159.45 22.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.429 ' O ' ' NH1' ' A' ' 58' ' ' ARG . . . -93.79 147.09 23.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 61.74 26.01 15.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -69.84 -41.55 74.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 63' ' ' ASN . 32.9 mt -152.34 138.48 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.405 ' N ' HG23 ' A' ' 62' ' ' ILE . 39.3 t-20 -90.65 108.06 19.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.462 ' HA ' ' CG1' ' A' ' 67' ' ' ILE . 84.5 mt -45.51 -42.88 11.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HE2' ' N ' ' A' ' 65' ' ' LYS . 10.2 mmpt? -58.96 -33.16 70.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.65 -24.82 60.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.563 ' CG2' ' CG2' ' A' ' 84' ' ' THR . 15.2 pt -104.26 132.54 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.419 ' CG ' HD22 ' A' ' 77' ' ' LEU . 3.6 m-80 -55.95 118.46 4.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.414 ' C ' ' HD3' ' A' ' 71' ' ' PRO . 18.1 mt -91.2 -22.92 20.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.487 ' C ' ' H ' ' A' ' 72' ' ' GLN . 10.2 mpt_? -113.5 63.54 0.99 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 73' ' ' MET . 54.2 Cg_endo -69.71 17.88 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.498 ' C ' ' O ' ' A' ' 71' ' ' PRO . 94.9 mt-30 -28.03 92.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.508 ' N ' ' O ' ' A' ' 71' ' ' PRO . 33.6 mmt 34.02 49.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 77' ' ' LEU . 4.8 t -118.1 85.71 2.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 74' ' ' SER . 32.1 tt0 -34.02 -57.04 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -46.15 -43.28 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 74' ' ' SER . 49.2 mt -73.02 -47.66 43.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 85.1 m -56.95 -64.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.1 mt -45.46 -59.8 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -49.1 -57.83 5.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -39.62 -57.75 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 71.9 mt -46.28 -58.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -45.92 -50.92 14.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.563 ' CG2' ' CG2' ' A' ' 67' ' ' ILE . 28.9 m -41.33 -44.35 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -65.12 -63.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.5 mt -45.56 -27.1 0.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.8 m -71.69 -52.79 16.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.67 -25.88 65.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 70.8 m -60.81 -27.79 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 13.7 t -105.82 -25.29 12.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -88.0 -61.86 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.8 m -64.1 -53.68 45.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -89.73 -66.99 0.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.97 72.89 0.91 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.4 ptp -120.6 171.07 8.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.764 0.316 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.8 mtt-85 -56.14 99.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -49.9 -37.68 32.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.9 t -57.31 -39.33 75.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 121' ' ' ARG . 72.8 mm-40 -62.28 -41.91 98.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.1 mt -43.25 162.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -106.43 168.9 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.506 ' CD ' ' CG ' ' A' ' 105' ' ' ASP . 1.1 pm0 -78.86 -175.52 4.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.16 -38.58 10.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 105' ' ' ASP . 4.6 t80 -59.65 -59.89 4.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.506 ' CG ' ' CD ' ' A' ' 102' ' ' GLU . 6.5 m-20 -36.81 -38.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.402 ' CD1' HG23 ' A' ' 115' ' ' VAL . 29.1 tp -83.98 -47.68 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -54.88 -56.3 21.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -85.75 18.18 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.5 t 38.3 31.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -59.56 -62.71 1.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -127.6 92.41 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.517 ' CD1' ' HB3' ' A' ' 41' ' ' ALA . 30.6 t80 -72.43 -39.2 68.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -44.09 -34.45 3.16 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.456 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -64.5 -37.33 87.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.402 HG23 ' CD1' ' A' ' 106' ' ' LEU . 23.8 t -70.37 -39.16 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 45.1 mt -61.97 -44.04 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -57.69 -54.81 42.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 121' ' ' ARG . 22.0 m -40.49 -51.17 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.5 mt -62.09 -38.04 87.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.453 ' HA ' ' CD1' ' A' ' 136' ' ' PHE . 4.9 t -50.28 -45.29 54.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.497 ' O ' ' CG ' ' A' ' 124' ' ' ARG . 9.9 ptt-85 -80.58 -36.74 32.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 42.7 tp -48.98 -46.5 43.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.425 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 15.5 p -52.61 -23.96 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 121' ' ' ARG . 1.0 OUTLIER -60.12 -28.01 67.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 46.4 p -57.57 150.97 42.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.562 0.696 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 1.06 4.75 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.2 mp -93.33 -42.04 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.425 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -70.19 -54.89 10.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 28.8 mt -57.68 -38.99 76.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -45.16 -49.33 12.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.1 p -54.89 -36.11 64.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 97.5 21.06 20.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 54.3 mt -80.5 140.17 17.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 134' ' ' ARG . 4.5 ptp180 -44.19 103.55 0.33 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 140.9 43.54 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.68 2.253 . . . . 0.0 112.283 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 120' ' ' SER . 31.9 m-85 -40.76 155.96 0.2 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.658 0.742 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -4.6 14.36 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.621 2.214 . . . . 0.0 112.383 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.0 t -103.05 109.57 21.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 154.95 156.94 7.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -179.74 3.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.634 2.222 . . . . 0.0 112.399 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 32.0 p -53.63 151.67 5.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 69.7 m -96.36 93.49 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.816 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.477 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -151.62 106.92 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 t -44.83 153.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.97 72.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.484 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 m -137.4 156.8 47.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.2 p -122.02 118.94 30.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.807 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.82 174.01 19.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.5 ttp -104.08 101.38 11.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.727 0.298 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' CG ' ' HE3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -50.28 159.2 0.87 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.659 0.743 . . . . 0.0 110.896 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -42.6 3.25 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.649 2.233 . . . . 0.0 112.319 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.528 ' NE1' ' CD ' ' A' ' 12' ' ' LYS . 13.8 p-90 -75.29 -41.53 56.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.528 ' CD ' ' NE1' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -33.39 -57.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -70.04 -44.03 70.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 15' ' ' ALA . 12.9 t -44.87 -52.38 8.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' CYS . . . -34.84 -46.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.068 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' TRP . 14.7 mm-40 -56.55 -68.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.537 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 25.7 t90 -35.8 -49.51 0.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.467 ' CD1' HD12 ' A' ' 40' ' ' LEU . 19.0 mt -53.27 -55.98 20.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.2 mt -50.43 -43.25 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -71.82 -34.29 69.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.537 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 88.1 m -66.84 -4.37 9.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp 71.74 46.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.41 HG21 ' N ' ' A' ' 24' ' ' LEU . 26.8 m -123.31 -29.52 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.562 HD23 ' CE1' ' A' ' 28' ' ' HIS . 46.8 mt -132.72 147.82 67.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.556 0.693 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.451 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.74 165.1 32.1 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -74.72 -25.6 59.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -109.55 27.0 9.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.564 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 1.8 t-80 -56.88 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.564 ' HD3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -90.66 -33.74 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 m -64.96 -19.31 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.4 p -71.35 -36.95 71.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.177 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -58.67 130.8 48.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -49.43 -44.06 45.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.1 m -50.17 -42.83 51.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -46.79 167.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 37' ' ' VAL . 80.0 mt-30 -150.03 164.47 35.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 36' ' ' GLN . 2.0 m -34.78 -44.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.409 ' CD1' ' CG ' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -50.49 -58.22 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -41.54 -61.07 1.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 18' ' ' LEU . 59.3 tp -63.4 -23.38 67.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.491 ' HB1' ' CD1' ' A' ' 112' ' ' PHE . . . -80.76 -25.72 37.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.409 ' CG ' ' CD1' ' A' ' 38' ' ' PHE . 29.1 mt-30 -77.38 -53.8 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.6 t -50.29 -23.16 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.9 mt -102.83 -28.87 11.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.406 ' NH1' ' HE2' ' A' ' 73' ' ' MET . 13.4 ttt180 -41.18 -34.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.74 -47.59 80.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.74 24.38 12.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.519 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.4 t -103.01 -36.13 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 111.14 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.4 tp -78.49 -49.5 13.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.9 mt -39.25 -58.02 1.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 88.2 m -49.01 -43.12 40.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' LEU . 19.8 mt-30 -56.52 -50.16 72.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' GLN . 61.2 tp -35.3 -63.09 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 61.6 mt -57.01 -44.91 83.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 81.4 m-20 -56.88 -27.79 61.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -76.37 -42.36 44.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.4 mt -68.89 -54.77 13.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -118.3 157.68 26.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.92 146.02 24.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.071 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.3 m170 62.49 25.9 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -70.66 -43.9 68.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.467 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 51.2 mt -149.0 126.37 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -78.42 107.92 11.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.6 mt -44.27 -32.36 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -67.19 -38.43 85.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -61.99 -25.03 67.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.1 pt -105.19 141.07 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -75.17 92.88 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 mt -52.14 -24.04 6.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -122.08 86.52 46.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.567 0.699 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 72' ' ' GLN . 54.1 Cg_endo -69.79 1.07 4.78 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 71' ' ' PRO . 73.3 mt-30 34.48 48.19 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.406 ' HE2' ' NH1' ' A' ' 45' ' ' ARG . 48.3 mmm 38.68 49.07 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 m -104.89 175.26 5.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -98.16 -37.73 9.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -74.22 -56.38 4.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.3 mt -54.66 -57.42 11.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.0 t -48.38 -59.73 3.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 75.0 mt -51.42 -54.77 23.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.12 -52.54 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -47.98 -57.73 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.5 mt -46.71 -58.28 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.2 mtp85 -42.45 -55.02 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 67.2 m -40.24 -48.87 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -58.61 -58.58 7.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.8 mt -50.44 -28.85 8.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.6 m -70.85 -46.61 62.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.4 -32.69 70.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 98.6 m -52.23 -25.25 8.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 48.8 t -110.9 -31.36 7.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -78.93 -53.22 7.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.1 m -74.91 -53.39 9.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.503 ' CE2' HD11 ' A' ' 122' ' ' LEU . 6.9 m-85 -88.18 -70.74 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.47 44.29 0.72 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 20.4 ptm -96.6 174.47 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.316 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.468 ' CB ' ' OE2' ' A' ' 99' ' ' GLU . 56.5 mtm-85 -61.49 172.93 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -103.09 -34.64 8.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.1 m -59.07 -30.25 67.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.511 ' N ' ' CD ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -65.89 -46.17 79.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.6 mt -45.76 157.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.563 ' CD1' HG21 ' A' ' 115' ' ' VAL . 43.1 p90 -102.94 151.47 22.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.95 125.92 26.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.85 -48.19 51.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -56.05 -53.65 54.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.24 -32.74 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.412 ' CD1' HG23 ' A' ' 115' ' ' VAL . 14.6 tp -84.36 -49.33 8.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -50.87 -59.39 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -81.67 -6.29 58.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.5 t 61.58 46.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -70.37 -64.43 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.3 97.6 4.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.491 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 29.9 t80 -69.48 -38.33 77.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.19 -36.29 2.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -64.58 -38.5 91.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.563 HG21 ' CD1' ' A' ' 101' ' ' PHE . 59.8 t -69.23 -37.22 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.0 mt -63.43 -49.97 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -50.99 -52.66 40.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 87.6 m -38.42 -48.09 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.408 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 17.5 mt -67.97 -42.9 80.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.532 ' HA ' ' CD2' ' A' ' 136' ' ' PHE . 20.0 m -47.63 -36.75 11.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 122' ' ' LEU . 46.5 mtt-85 -85.01 -56.65 3.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.503 HD11 ' CE2' ' A' ' 93' ' ' PHE . 21.8 tp -34.97 -44.84 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.446 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 59.6 p -45.49 -48.5 14.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 124' ' ' ARG . 15.4 mtp-105 -42.09 -37.82 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' A' ' 122' ' ' LEU . 61.7 p -42.35 148.64 0.5 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.571 0.701 . . . . 0.0 111.135 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -0.46 6.93 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.365 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.4 mp -96.27 -41.93 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -66.84 -41.81 86.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 132' ' ' GLY . 49.7 mt -70.89 -44.62 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -37.79 -47.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.9 p -60.92 -37.42 82.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 95.99 25.94 12.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 70.4 mt -81.88 146.17 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 111.099 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -37.47 99.39 0.18 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 140.9 44.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.268 . . . . 0.0 112.387 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 120' ' ' SER . 31.4 m-85 -57.71 156.51 17.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.668 0.746 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 102.61 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.371 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 21.4 p -107.34 -42.51 4.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -57.41 -175.15 0.35 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 164.44 34.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 82.0 p -151.47 128.25 10.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 77.8 p -136.07 175.92 9.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 t -110.92 92.42 4.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.6 m -60.52 143.48 53.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.81 134.9 2.35 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -144.42 173.66 11.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.888 0.375 . . . . 0.0 110.81 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -103.36 113.45 26.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.2 88.14 1.41 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.462 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 ptp -124.09 159.63 29.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.723 0.296 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -53.85 153.21 8.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.665 0.745 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -16.36 37.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.313 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.637 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 4.9 p-90 -78.59 -29.47 46.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 21.2 mmtm -58.65 -51.85 68.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -69.19 -46.26 67.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.2 t -42.39 -47.8 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -39.92 -48.15 2.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -54.02 -61.0 2.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.539 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 16.8 t90 -45.26 -48.03 12.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -53.73 -51.37 63.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.9 mt -55.78 -41.2 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -74.5 -30.31 61.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.539 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 94.3 m -71.02 0.19 8.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt 67.46 48.51 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 24' ' ' LEU . 34.5 m -127.57 -29.82 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 HD23 ' CE1' ' A' ' 28' ' ' HIS . 89.7 mt -131.36 147.35 65.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.585 0.707 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.75 156.52 63.16 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.733 2.289 . . . . 0.0 112.331 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.6 p -66.27 -28.73 68.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -106.01 21.86 16.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.462 ' CE1' HD23 ' A' ' 24' ' ' LEU . 2.3 t-160 -49.31 176.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -87.26 -21.63 25.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.0 m -72.26 -22.27 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.4 p -77.67 -15.96 58.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.5 m95 -67.84 129.45 39.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -52.53 -25.18 9.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 m -73.3 -35.49 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.46 166.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -144.52 160.53 40.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.637 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 3.3 m -38.29 -38.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.456 ' CE1' HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -60.45 -57.59 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -40.66 -58.59 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.2 tp -66.0 -27.4 68.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.515 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . . . -77.46 -22.68 51.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -76.07 -51.65 11.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.403 ' CG2' ' HG ' ' A' ' 44' ' ' LEU . 2.7 t -53.87 -25.17 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.403 ' HG ' ' CG2' ' A' ' 43' ' ' THR . 10.3 mt -102.57 -18.59 15.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -55.55 -39.9 71.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.49 ' OD2' ' CE ' ' A' ' 73' ' ' MET . 41.1 m-20 -80.94 14.52 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.77 30.1 0.9 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.465 HG21 ' CB ' ' A' ' 46' ' ' ASP . 65.6 t -80.69 -54.75 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 52' ' ' GLN . 22.3 tp -77.84 -45.35 24.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 49' ' ' LEU . 11.1 mt -34.55 -58.92 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.3 m -56.13 -40.22 73.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 49' ' ' LEU . 24.8 mt-30 -60.33 -45.08 94.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.1 tp -42.74 -55.36 3.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.01 -44.45 96.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 71.5 m-20 -59.19 -23.66 62.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -78.34 -49.21 14.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.17 -53.35 50.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -118.27 157.71 26.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.07 148.95 21.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.0 m170 61.7 25.32 15.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -70.9 -47.02 61.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.499 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 68.9 mt -147.59 130.43 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -80.66 111.22 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.3 mt -49.18 -36.9 20.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -62.36 -38.52 89.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.437 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . 42.3 mt-10 -64.86 -23.52 67.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.0 pt -104.97 127.71 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -74.11 101.21 3.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 mt -80.71 138.72 36.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.429 ' N ' ' CD ' ' A' ' 71' ' ' PRO . 23.8 ttt180 74.41 54.99 0.26 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 70' ' ' ARG . 54.0 Cg_endo -69.76 0.85 5.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.721 2.281 . . . . 0.0 112.351 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 43.99 39.08 2.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.49 ' CE ' ' OD2' ' A' ' 46' ' ' ASP . 6.9 mmt 68.39 49.34 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.3 t -98.77 122.27 41.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 46.8 tt0 -52.17 -54.81 26.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.943 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -54.94 -71.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.5 mt -44.48 -55.78 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 46.1 t -46.49 -68.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 28.6 mt -45.99 -43.51 14.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -58.04 -56.56 20.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 82' ' ' ILE . 70.8 m-20 -49.42 -62.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 81' ' ' ASN . 90.5 mt -33.95 -55.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 86' ' ' LEU . 16.1 mtt-85 -57.71 -55.43 35.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.2 m -39.35 -32.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -82.6 -39.66 21.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 83' ' ' ARG . 73.1 mt -60.96 -36.54 79.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.564 ' CG2' ' N ' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -66.52 -47.36 73.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.117 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.564 ' N ' ' CG2' ' A' ' 87' ' ' THR . . . -57.66 -30.04 65.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 3.7 m -65.98 -15.8 63.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 21.9 t -120.31 -20.58 7.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -93.22 -45.29 7.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.3 m -82.44 -52.86 6.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -87.24 -56.99 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 99.17 56.89 0.98 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 70.2 mtp -102.45 179.1 4.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -78.56 105.16 9.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -53.44 -19.95 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.0 t -69.09 -31.0 69.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -76.73 -35.65 57.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 73.7 mt -49.07 160.47 0.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.539 ' CE1' HG12 ' A' ' 115' ' ' VAL . 36.3 p90 -94.1 159.88 14.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.63 179.37 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.01 -25.51 15.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -84.81 -49.59 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -38.57 -43.32 0.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.9 tp -75.89 -51.48 12.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 17.3 t80 -51.26 -62.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -74.19 3.66 6.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.456 HG21 ' CE1' ' A' ' 38' ' ' PHE . 43.2 t 48.37 43.54 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -69.1 -60.92 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -133.61 97.3 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' A' ' 41' ' ' ALA . 41.3 t80 -69.26 -38.41 78.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.78 -45.55 13.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -56.3 -30.82 63.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.539 HG12 ' CE1' ' A' ' 101' ' ' PHE . 19.5 t -77.38 -38.78 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.46 HD13 ' CB ' ' A' ' 11' ' ' TRP . 45.2 mt -64.22 -36.4 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -56.62 -51.38 68.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 98.3 m -44.45 -50.49 9.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.6 mt -55.86 -55.99 25.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.493 ' HA ' ' CE1' ' A' ' 136' ' ' PHE . 28.8 t -41.13 -41.71 1.83 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -75.01 -50.29 17.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 18.3 tp -42.19 -49.73 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 54.5 p -40.7 -44.19 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.408 ' CG ' ' N ' ' A' ' 125' ' ' THR . 26.2 ptt180 -45.18 -42.41 9.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.408 ' N ' ' CG ' ' A' ' 124' ' ' ARG . 71.6 p -43.36 145.94 0.97 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 111.083 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 0.3 5.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.07 -39.59 10.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.65 -48.57 46.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 42.0 mt -63.98 -36.04 82.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.82 -50.67 5.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 37.7 p -49.68 -33.34 15.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 104.98 11.83 29.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 53.1 mt -75.38 140.25 17.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 0.0 111.132 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 62.0 mmt-85 -65.5 137.68 96.61 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 143.12 49.52 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.493 ' CE1' ' HA ' ' A' ' 120' ' ' SER . 3.0 p90 -130.51 123.68 20.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.688 0.756 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -178.55 2.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.453 ' HB3' ' CB ' ' A' ' 120' ' ' SER . 70.9 p -122.12 139.09 54.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 100.11 167.43 29.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -0.78 7.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.0 t -44.51 134.72 5.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 36.0 p -56.79 148.22 21.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.463 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.466 -0.135 0 CA-C-O 120.803 0.251 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.527 ' CD1' HG13 ' A' ' 37' ' ' VAL . 6.9 p-90 -86.12 -23.96 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -67.92 -54.25 20.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -66.34 -32.81 74.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.7 t -57.12 -45.48 83.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -43.0 -48.91 6.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' TRP . 10.0 mm100 -52.22 -66.97 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.519 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 36.6 t90 -37.5 -47.7 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.915 ' O ' HG22 ' A' ' 23' ' ' VAL . 61.3 mt -54.89 -54.16 46.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.418 HD11 ' CG2' ' A' ' 31' ' ' THR . 77.9 mt -53.71 -47.14 62.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -66.5 -32.36 73.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.519 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 65.1 m -70.8 -0.7 9.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm 69.48 47.49 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.915 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.3 m -126.5 -28.83 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.925 HD22 ' CE1' ' A' ' 28' ' ' HIS . 63.9 mt -129.92 146.22 60.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.632 0.73 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 54.2 Cg_endo -69.76 147.84 63.79 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.402 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.8 p -61.53 -21.2 64.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -111.36 20.92 16.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.925 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.4 t-160 -51.38 169.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 11.7 ptm180 -82.36 -18.37 42.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.456 HG13 ' ND1' ' A' ' 28' ' ' HIS . 6.2 m -76.02 -16.8 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.418 ' CG2' HD11 ' A' ' 19' ' ' ILE . 39.8 p -82.19 -8.43 59.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.406 ' CD1' ' HA ' ' A' ' 29' ' ' ARG . 25.3 m95 -80.09 139.73 36.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -41.64 78.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.3 m -58.39 -22.24 53.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 32' ' ' TRP . . . -64.14 168.29 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' VAL . 81.0 mt-30 -154.55 163.79 39.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.527 HG13 ' CD1' ' A' ' 11' ' ' TRP . 5.3 m -36.01 -40.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -55.63 -62.43 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -41.0 -55.96 2.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.406 HD11 ' CD1' ' A' ' 18' ' ' LEU . 38.2 tp -66.3 -26.42 67.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.438 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . . . -80.67 -12.72 59.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -86.75 -50.29 6.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.44 HG23 ' HG ' ' A' ' 44' ' ' LEU . 8.3 t -51.23 -20.44 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 47' ' ' GLY . 4.5 mt -107.71 -24.4 11.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.976 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -41.12 -32.34 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -75.18 -38.03 61.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 89.54 16.71 56.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.479 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.8 t -88.67 -28.02 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.371 . . . . 0.0 111.095 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLN . 16.4 tp -83.97 -51.36 7.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.562 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . 11.6 mt -37.22 -54.41 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.709 ' HA ' HD12 ' A' ' 62' ' ' ILE . 97.1 m -52.28 -40.87 62.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' LEU . 30.4 mt-30 -60.71 -51.79 67.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.0 tp -38.9 -56.47 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.834 HD12 HD11 ' A' ' 62' ' ' ILE . 43.0 mt -60.82 -40.75 93.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 88.4 m-20 -63.62 -21.9 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -80.74 -47.11 14.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.16 -54.54 24.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.547 ' HB2' HG21 ' A' ' 127' ' ' ILE . 19.3 ttt180 -114.82 159.96 20.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.21 143.72 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 60.82 35.51 19.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 m -79.52 -44.14 21.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.834 HD11 HD12 ' A' ' 54' ' ' LEU . 36.9 mt -145.77 127.45 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -75.17 107.91 7.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.9 mt -48.17 -34.04 9.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -66.45 -35.34 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.98 -24.46 66.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.662 HG21 ' SG ' ' A' ' 51' ' ' CYS . 17.3 pt -105.35 142.36 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.863 0.364 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -57.77 -49.33 76.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.79 -50.42 69.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 37.0 m -51.87 -66.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.7 mt -42.98 -42.75 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 -52.3 65.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -51.29 -61.25 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.3 mt -40.38 -52.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.643 ' HA ' HD12 ' A' ' 86' ' ' LEU . 11.6 mtp85 -52.3 -47.26 66.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.6 m -49.04 -42.91 39.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 50' ' ' LEU . 2.5 t80 -65.86 -42.92 89.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 83' ' ' ARG . 19.2 mt -61.53 -35.0 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.774 HG22 ' HG3' ' A' ' 91' ' ' GLU . 11.2 m -71.31 -48.14 52.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.16 -22.73 61.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 6.2 m -70.17 -21.27 63.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 62.5 m -113.85 -18.35 11.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.774 ' HG3' HG22 ' A' ' 87' ' ' THR . 5.3 mm-40 -91.26 -48.82 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.6 m -80.57 -47.26 14.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.514 ' CE2' HD11 ' A' ' 122' ' ' LEU . 16.0 m-85 -93.7 -61.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.53 56.61 0.81 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 34.3 mtm -100.3 -179.02 3.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -66.66 154.24 41.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -95.88 -17.88 20.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.5 t -81.29 -37.67 28.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -60.93 -46.48 90.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.0 mt -38.43 157.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CE2' HG13 ' A' ' 115' ' ' VAL . 50.2 p90 -95.15 164.15 12.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -81.11 121.21 25.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.66 -47.05 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 14.4 t80 -58.91 -56.72 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 104' ' ' PHE . 40.4 m-20 -38.2 -41.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.469 HD13 HG21 ' A' ' 115' ' ' VAL . 38.3 tp -75.68 -53.17 8.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -50.44 -65.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.414 ' HB3' ' CG ' ' A' ' 110' ' ' ARG . 9.8 t0 -70.79 -6.23 36.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.0 t 57.96 37.71 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.414 ' CG ' ' HB3' ' A' ' 108' ' ' ASP . 19.2 mtp180 -69.23 -64.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -120.71 86.27 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 41' ' ' ALA . 45.7 t80 -68.11 -40.07 82.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.48 -30.74 4.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -67.69 -34.4 76.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.623 HG13 ' CE2' ' A' ' 101' ' ' PHE . 16.2 t -72.5 -40.34 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 14.1 mt -56.75 -44.69 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -60.35 -43.32 96.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 89.6 m -47.47 -34.55 7.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.0 mt -80.5 -33.81 36.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.7 m -54.15 -37.05 63.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 121' ' ' ARG . 4.5 mtm105 -77.17 -51.21 11.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 93' ' ' PHE . 9.6 tp -43.93 -48.55 8.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 4.5 p -42.07 -37.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.444 ' CG ' ' N ' ' A' ' 125' ' ' THR . 13.1 ptt180 -55.85 -44.48 78.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 124' ' ' ARG . 81.5 p -36.02 146.48 0.2 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.577 0.703 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.01 3.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.547 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -100.06 -32.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -79.5 -41.59 27.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 29.5 mt -69.5 -39.73 77.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.76 -48.72 5.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.3 p -56.6 -32.66 65.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.98 22.18 36.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 134' ' ' ARG . 46.0 mt -81.66 135.25 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 0.0 111.134 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 133' ' ' ILE . 16.4 mmm-85 -32.84 96.17 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.561 0.696 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 133' ' ' ILE . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.41 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.771 0.238 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.643 ' CD1' HG13 ' A' ' 37' ' ' VAL . 8.3 p-90 -98.76 -28.36 13.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.477 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 23.5 mmtt -58.82 -52.83 64.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -68.12 -38.36 82.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.3 t -48.83 -49.02 41.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.476 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -40.03 -49.56 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -51.9 -65.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.454 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 18.6 t90 -41.79 -45.55 3.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.889 ' O ' HG22 ' A' ' 23' ' ' VAL . 39.6 mt -57.84 -50.55 72.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.27 -43.53 76.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.567 ' HB3' HG23 ' A' ' 133' ' ' ILE . 22.8 m-70 -72.34 -30.77 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.454 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 56.2 m -71.31 -1.05 11.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 67.79 49.33 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.889 HG22 ' O ' ' A' ' 18' ' ' LEU . 35.5 m -125.57 -29.36 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.037 HD22 ' CE1' ' A' ' 28' ' ' HIS . 63.8 mt -133.76 151.24 76.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.634 0.73 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.82 152.96 69.16 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.285 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.4 p -62.99 -29.16 70.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.66 24.08 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 1.037 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.8 t-160 -50.48 170.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.4 ptt-85 -78.35 -26.19 46.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.9 m -69.58 -25.04 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.8 p -68.42 -38.82 81.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -53.26 148.95 7.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -64.04 -47.91 78.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 t -50.34 -22.5 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.95 160.53 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -147.54 170.29 17.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.643 HG13 ' CD1' ' A' ' 11' ' ' TRP . 3.8 m -40.8 -51.4 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -45.95 -61.41 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -38.84 -59.67 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 18' ' ' LEU . 61.4 tp -63.69 -25.03 68.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -78.76 -23.73 45.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -79.84 -53.59 6.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.652 HG23 ' HG ' ' A' ' 44' ' ' LEU . 14.8 t -47.92 -24.23 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.142 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.652 ' HG ' HG23 ' A' ' 43' ' ' THR . 13.5 mt -104.56 -23.73 13.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -46.36 -28.59 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -66.99 -43.69 82.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.9 24.4 22.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.8 t -104.92 -35.12 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.43 ' HB3' HD23 ' A' ' 44' ' ' LEU . 22.7 tp -77.5 -48.75 16.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -39.06 -56.54 1.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.469 ' HA ' HD12 ' A' ' 62' ' ' ILE . 66.6 m -51.33 -43.81 61.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' LEU . 14.6 mt-30 -55.77 -53.62 54.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' GLN . 18.5 tp -36.31 -55.28 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.715 HD12 HD11 ' A' ' 62' ' ' ILE . 47.7 mt -58.59 -45.2 89.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -57.85 -32.4 67.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -69.02 -50.84 45.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.554 HD13 ' HB2' ' A' ' 128' ' ' ALA . 22.0 mt -65.83 -56.64 10.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.779 ' HB2' HG21 ' A' ' 127' ' ' ILE . 9.8 ttm-85 -109.45 160.26 16.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.83 143.88 26.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 58.77 26.62 14.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 m -66.13 -41.26 90.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.715 HD11 HD12 ' A' ' 54' ' ' LEU . 37.3 mt -148.57 137.04 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -83.62 105.68 14.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.0 mt -46.73 -31.95 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -69.17 -34.27 74.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.54 -21.94 66.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.7 pt -108.16 138.73 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.479 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 47.7 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.84 0.352 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -59.93 -51.14 70.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.2 mt -71.58 -59.35 2.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.8 t -39.56 -51.07 2.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.2 -46.97 88.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.443 ' C ' ' CD ' ' A' ' 80' ' ' LYS . 2.9 tmtm? -58.0 -56.19 25.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' ILE . 23.5 m-20 -44.61 -64.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' ASN . 84.9 mt -37.74 -57.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -49.23 -43.07 42.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.8 m -51.71 -43.65 62.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -63.61 -62.1 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.768 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 14.0 mt -48.27 -35.34 11.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 88.5 m -62.14 -36.33 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.9 -33.26 68.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.4 m -59.22 -13.89 9.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 39.4 t -114.64 -26.84 7.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -90.2 -57.56 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.405 HG22 ' HD2' ' A' ' 58' ' ' ARG . 52.3 m -67.43 -55.98 11.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.553 ' CD2' HG21 ' A' ' 125' ' ' THR . 73.1 m-85 -87.49 -66.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 101.78 68.97 0.83 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.7 ptm -116.75 170.7 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -59.7 118.03 5.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -37.0 85.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -56.67 -25.18 53.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -78.75 -37.34 41.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.6 mt -52.27 160.6 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.768 ' CZ ' HD21 ' A' ' 86' ' ' LEU . 48.7 p90 -91.38 178.11 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 103' ' ' ALA . 16.1 mm-40 -100.54 120.66 40.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 102' ' ' GLU . . . -34.67 -43.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.081 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' ASP . 17.4 t80 -60.77 -60.29 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' PHE . 23.3 m-20 -36.79 -38.3 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.0 tp -75.14 -59.4 2.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.479 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 15.7 t80 -47.4 -60.34 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -74.32 -3.75 32.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 t 53.2 35.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -59.24 -66.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.11 95.99 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.527 ' CD2' HD11 ' A' ' 116' ' ' ILE . 46.2 t80 -67.97 -33.29 74.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.08 -32.09 27.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.492 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -67.35 -40.07 85.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.568 HG22 ' CG ' ' A' ' 101' ' ' PHE . 59.0 t -68.83 -41.29 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.527 HD11 ' CD2' ' A' ' 112' ' ' PHE . 40.9 mt -57.65 -49.01 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -51.03 -51.0 57.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 89.5 m -40.78 -48.46 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 27.7 mt -62.22 -45.22 94.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.8 t -45.51 -37.02 4.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -83.11 -53.76 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.724 ' O ' HG23 ' A' ' 125' ' ' THR . 22.6 tp -40.77 -42.02 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.507 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 88.8 p -49.81 -47.05 51.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -43.74 -33.23 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 122' ' ' LEU . 72.7 p -45.42 147.17 1.46 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.585 0.707 . . . . 0.0 111.144 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -2.64 10.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.779 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.2 mp -94.75 -36.61 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.554 ' HB2' HD13 ' A' ' 57' ' ' LEU . . . -74.33 -40.31 62.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 132' ' ' GLY . 47.0 mt -72.18 -40.42 67.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.46 -50.8 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 37.3 p -57.13 -33.1 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 91.08 23.68 29.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.567 HG23 ' HB3' ' A' ' 20' ' ' HIS . 59.4 mt -79.89 141.12 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 111.119 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 135' ' ' PRO . 34.3 mmm-85 -36.28 98.68 0.16 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.718 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.772 0.238 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.567 ' CZ2' ' HD2' ' A' ' 12' ' ' LYS . 6.1 p-90 -94.14 -42.4 9.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.567 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 20.1 mmmt -45.91 -43.96 14.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -80.67 -41.57 23.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.7 t -49.4 -39.55 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -48.13 -45.61 33.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -55.48 -59.8 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 26.5 t90 -42.75 -46.86 5.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.845 ' O ' HG22 ' A' ' 23' ' ' VAL . 17.1 mt -56.55 -54.66 43.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.1 mt -53.07 -42.81 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -73.45 -29.64 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 68.8 m -71.71 1.12 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp 67.22 46.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.845 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.7 m -123.62 -29.95 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.614 HD22 ' NE2' ' A' ' 28' ' ' HIS . 55.8 mt -132.93 151.13 77.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.706 . . . . 0.0 110.959 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.455 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.81 161.04 47.45 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.2 p -69.75 -30.14 67.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -106.54 26.61 9.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.614 ' NE2' HD22 ' A' ' 24' ' ' LEU . 8.5 t60 -53.14 -175.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 11.9 ptm180 -88.29 -33.95 17.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.7 m -63.46 -14.5 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.2 p -82.6 -30.81 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -57.05 130.09 44.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -47.32 -41.8 19.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.5 p -59.29 -37.65 78.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' ARG . . . -43.67 160.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.069 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' VAL . 69.5 mt-30 -146.75 160.31 42.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.526 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.6 m -34.52 -46.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.482 ' CE1' HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -50.77 -59.98 3.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -40.88 -57.93 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.436 HD11 ' CD1' ' A' ' 18' ' ' LEU . 27.3 tp -63.35 -27.03 69.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -76.19 -27.68 56.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -74.28 -56.79 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.592 HG23 ' HG ' ' A' ' 44' ' ' LEU . 14.7 t -45.15 -21.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.592 ' HG ' HG23 ' A' ' 43' ' ' THR . 30.5 mt -107.37 -27.52 10.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -44.74 -37.79 3.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.44 -45.73 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.23 25.21 14.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.6 t -105.21 -32.99 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.897 0.38 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 50' ' ' LEU . 42.7 tp -82.94 -53.26 5.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.4 mt -34.26 -59.24 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.411 ' SG ' HG21 ' A' ' 67' ' ' ILE . 94.9 m -48.39 -44.57 34.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' LEU . 19.2 mt-30 -55.54 -47.7 75.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' GLN . 56.8 tp -34.87 -63.45 0.32 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.775 HD22 ' CE1' ' A' ' 93' ' ' PHE . 58.1 mt -57.38 -46.81 83.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -53.81 -25.23 18.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -81.6 -43.8 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.43 ' HB3' HG22 ' A' ' 127' ' ' ILE . 25.2 mt -69.6 -53.66 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.47 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 9.0 ttt180 -118.28 159.36 23.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.21 146.85 23.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.6 m170 62.64 28.58 16.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.8 m -75.12 -44.67 45.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.601 HD11 HD12 ' A' ' 54' ' ' LEU . 63.7 mt -148.9 122.69 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 66' ' ' GLU . 48.7 t-20 -75.3 107.33 7.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.4 mt -43.35 -32.97 0.91 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -68.09 -38.78 82.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 63' ' ' ASN . 13.7 mt-10 -62.89 -27.0 69.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.637 ' CG2' HG21 ' A' ' 84' ' ' THR . 21.5 pt -103.59 130.06 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 m120 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.798 0.332 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -65.45 -58.57 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 78' ' ' CYS . 37.6 mt -63.76 -62.77 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.483 ' HG ' ' HD1' ' A' ' 107' ' ' PHE . 48.9 t -38.23 -61.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.0 mt -47.07 -56.45 6.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -58.75 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 82' ' ' ILE . 80.5 m-20 -41.74 -65.29 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 81' ' ' ASN . 71.7 mt -35.0 -53.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -54.94 -50.77 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.637 HG21 ' CG2' ' A' ' 67' ' ' ILE . 96.0 m -44.57 -38.63 4.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.429 ' CZ ' ' SG ' ' A' ' 89' ' ' CYS . 6.2 t80 -68.69 -60.2 2.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.542 HD22 ' HB3' ' A' ' 100' ' ' LEU . 19.9 mt -45.51 -28.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.481 HG22 ' HG3' ' A' ' 91' ' ' GLU . 17.5 m -69.8 -51.15 36.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.164 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -39.94 75.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.429 ' SG ' ' CZ ' ' A' ' 85' ' ' PHE . 56.2 m -52.31 -19.52 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 47.7 t -111.69 -27.91 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.481 ' HG3' HG22 ' A' ' 87' ' ' THR . 5.2 mm-40 -86.63 -54.89 4.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.47 ' CG2' ' HD3' ' A' ' 58' ' ' ARG . 67.9 m -68.15 -56.87 7.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.883 ' CE2' HD11 ' A' ' 122' ' ' LEU . 14.1 m-85 -88.94 -64.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.79 65.59 0.8 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.5 ptp -110.38 -175.56 2.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.788 0.328 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.43 ' CB ' ' HG2' ' A' ' 99' ' ' GLU . 15.7 mmt85 -65.06 100.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -54.93 -27.28 42.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -69.88 -29.82 67.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.451 ' HG3' ' NE ' ' A' ' 121' ' ' ARG . 15.7 mm-40 -70.47 -31.55 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.542 ' HB3' HD22 ' A' ' 86' ' ' LEU . 28.7 mt -52.68 160.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.619 ' CE1' HG13 ' A' ' 115' ' ' VAL . 10.0 p90 -94.19 178.8 5.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -93.81 161.66 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.98 68.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.622 ' CZ ' ' CG ' ' A' ' 108' ' ' ASP . 12.6 t80 -67.67 -47.89 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -37.28 -43.73 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.2 tp -81.22 -52.48 7.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.483 ' HD1' ' HG ' ' A' ' 78' ' ' CYS . 15.4 t80 -47.38 -58.61 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.622 ' CG ' ' CZ ' ' A' ' 104' ' ' PHE . 0.6 OUTLIER -81.98 16.11 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 109' ' ' VAL . 15.7 t 38.28 43.14 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.2 mtp85 -64.35 -63.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -134.26 99.2 4.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.544 ' CD2' HD11 ' A' ' 116' ' ' ILE . 30.0 t80 -71.26 -36.89 71.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.68 -36.17 6.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -66.15 -37.15 84.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.619 HG13 ' CE1' ' A' ' 101' ' ' PHE . 38.5 t -72.22 -38.32 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.544 HD11 ' CD2' ' A' ' 112' ' ' PHE . 57.4 mt -61.38 -47.67 92.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.426 ' C ' ' OE1' ' A' ' 117' ' ' GLU . 0.2 OUTLIER -54.2 -48.72 70.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 99.4 m -39.63 -49.69 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.67 -47.45 75.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.8 p -44.4 -38.04 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.451 ' NE ' ' HG3' ' A' ' 99' ' ' GLU . 25.7 mtp85 -77.48 -60.12 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.883 HD11 ' CE2' ' A' ' 93' ' ' PHE . 9.1 tp -38.97 -40.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 76.6 p -44.45 -45.11 8.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 125' ' ' THR . 11.3 ptt-85 -46.58 -36.42 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 122' ' ' LEU . 72.0 p -45.69 146.62 1.8 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 111.148 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 0.5 5.56 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.24 . . . . 0.0 112.341 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.43 HG22 ' HB3' ' A' ' 57' ' ' LEU . 5.2 mp -94.34 -44.98 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.75 77.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.093 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 33.0 mt -67.01 -38.14 85.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.04 -46.22 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 41.6 p -58.65 -34.41 71.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.5 26.45 17.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 134' ' ' ARG . 47.5 mt -85.17 139.65 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 135' ' ' PRO . 11.5 mmm180 -36.36 98.68 0.16 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.681 0.753 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.762 0.234 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.605 ' CD1' HG13 ' A' ' 37' ' ' VAL . 25.3 p-90 -60.25 -40.46 90.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.585 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 3.2 mmpt? -36.83 -63.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -64.3 -41.36 96.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.5 t -46.51 -49.48 18.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.36 -46.99 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -55.46 -55.21 34.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.542 ' CZ3' ' HB3' ' A' ' 119' ' ' LEU . 26.3 t90 -48.52 -46.09 38.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.906 ' O ' HG22 ' A' ' 23' ' ' VAL . 60.9 mt -56.97 -49.05 76.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 81.0 mt -57.47 -44.99 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.687 ' HB3' HG23 ' A' ' 133' ' ' ILE . 43.4 m-70 -69.93 -30.84 68.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.477 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 53.1 m -73.98 -0.2 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt 66.5 50.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 18' ' ' LEU . 35.6 m -127.6 -29.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.934 HD22 ' CE1' ' A' ' 28' ' ' HIS . 72.8 mt -129.12 147.3 64.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.677 0.751 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.441 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.79 155.36 66.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.709 2.272 . . . . 0.0 112.295 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.9 p -68.18 -18.75 64.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -113.09 17.31 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.934 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.3 t-160 -46.76 168.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -77.94 -43.8 28.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -53.18 -30.13 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.426 HG23 ' HB3' ' A' ' 28' ' ' HIS . 51.5 p -60.34 -31.71 70.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -63.63 136.22 57.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -53.27 -45.42 68.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -49.24 -44.3 43.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.05 160.35 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 37' ' ' VAL . 59.1 mt-30 -140.47 165.12 28.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.605 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.4 m -35.18 -47.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CZ ' ' CD ' ' A' ' 42' ' ' GLN . 11.0 t80 -46.03 -63.87 0.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' PHE . 9.4 t0 -37.23 -55.18 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.568 HD11 ' CD1' ' A' ' 18' ' ' LEU . 60.1 tp -65.21 -32.93 74.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -75.42 -14.25 60.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.598 ' CD ' ' CZ ' ' A' ' 38' ' ' PHE . 24.5 mt-30 -86.93 -49.51 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 t -56.06 -14.16 2.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.445 ' CD2' HD23 ' A' ' 49' ' ' LEU . 11.2 mt -113.1 -25.18 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.97 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -43.8 -36.13 2.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -65.3 -45.71 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.67 26.92 8.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.8 t -101.54 -38.5 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 0.0 111.145 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 52' ' ' GLN . 23.5 tp -76.1 -53.71 7.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' LEU . 9.5 mt -35.02 -56.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.661 ' SG ' HG21 ' A' ' 67' ' ' ILE . 59.8 m -50.0 -42.54 49.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 49' ' ' LEU . 30.1 mt-30 -56.38 -50.68 70.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.3 tp -39.72 -60.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.719 HD12 HD11 ' A' ' 62' ' ' ILE . 51.8 mt -57.73 -40.31 79.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -64.57 -23.53 67.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -80.18 -43.32 21.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.9 mt -70.5 -53.78 14.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.605 ' HB2' HG21 ' A' ' 127' ' ' ILE . 27.4 ttt-85 -116.61 155.63 28.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.55 146.83 23.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.057 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 60.86 30.9 19.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 m -76.53 -42.62 42.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.719 HD11 HD12 ' A' ' 54' ' ' LEU . 26.1 mt -149.88 141.34 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -90.95 110.71 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.462 HD23 HD11 ' A' ' 67' ' ' ILE . 54.6 mt -49.04 -37.31 20.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -64.43 -35.99 82.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -68.51 -22.05 64.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.661 HG21 ' SG ' ' A' ' 51' ' ' CYS . 23.9 pt -105.84 137.14 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.0 m120 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -43.06 -44.19 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 80' ' ' LYS . 94.1 mt -71.72 -70.0 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 77' ' ' LEU . 82.9 m -34.38 -52.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.7 mt -59.25 -41.89 89.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -60.31 -56.92 15.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 84' ' ' THR . 39.9 m-20 -43.8 -63.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.633 ' CD1' HD23 ' A' ' 106' ' ' LEU . 84.5 mt -35.82 -55.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.802 ' HA ' HD12 ' A' ' 86' ' ' LEU . 65.3 mtt180 -51.75 -43.61 63.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 81' ' ' ASN . 58.1 m -52.67 -42.25 64.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -69.42 -42.16 75.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.802 HD12 ' HA ' ' A' ' 83' ' ' ARG . 10.1 mt -61.25 -29.78 70.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.706 HG22 ' HG3' ' A' ' 91' ' ' GLU . 25.1 m -73.64 -43.57 59.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.85 -41.1 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 14.6 m -56.28 -22.7 31.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.561 ' SG ' HD11 ' A' ' 100' ' ' LEU . 84.4 m -107.04 -19.03 13.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.706 ' HG3' HG22 ' A' ' 87' ' ' THR . 5.2 mm-40 -95.03 -58.13 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.472 ' CG2' ' HD3' ' A' ' 58' ' ' ARG . 87.9 m -69.08 -49.89 53.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.706 ' CE2' HD11 ' A' ' 122' ' ' LEU . 24.7 m-85 -90.92 -64.32 1.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 109.75 53.28 0.59 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.6 mtp -93.29 168.47 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.7 mmt-85 -78.36 124.24 27.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -68.46 -14.35 62.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.3 t -76.75 -8.51 57.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -108.93 -29.75 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.561 HD11 ' SG ' ' A' ' 90' ' ' CYS . 86.9 mt -54.75 160.59 1.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.74 ' CE2' HG13 ' A' ' 115' ' ' VAL . 48.4 p90 -92.37 165.11 13.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -88.19 136.24 33.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.502 ' HA ' HG21 ' A' ' 82' ' ' ILE . . . -43.14 -48.05 6.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' ASP . 12.2 t80 -63.12 -55.39 25.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 104' ' ' PHE . 3.0 t70 -37.32 -32.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.817 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.633 HD23 ' CD1' ' A' ' 82' ' ' ILE . 8.4 tp -89.91 -47.53 7.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -50.92 -65.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.05 -3.58 27.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.1 t 58.52 47.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -70.36 -73.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -117.0 94.53 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -68.47 -34.63 76.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.25 -32.17 28.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -68.98 -36.83 78.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.74 HG13 ' CE2' ' A' ' 101' ' ' PHE . 21.7 t -73.55 -34.11 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 29.6 mt -65.57 -52.15 54.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 120' ' ' SER . 7.2 tp10 -50.0 -47.55 52.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.7 m -42.51 -45.51 4.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.542 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 14.3 mt -69.64 -29.51 67.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 117' ' ' GLU . 38.8 m -61.17 -31.59 71.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -87.13 -44.77 11.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.706 HD11 ' CE2' ' A' ' 93' ' ' PHE . 7.7 tp -46.57 -55.38 7.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.561 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 76.5 p -39.72 -43.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -46.61 -43.62 17.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 122' ' ' LEU . 69.1 p -39.54 149.51 0.26 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.182 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -7.25 20.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.605 HG21 ' HB2' ' A' ' 58' ' ' ARG . 4.5 mp -88.51 -35.15 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -76.73 -43.93 35.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.03 -35.32 78.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.57 -46.85 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 47.4 p -62.16 -37.91 87.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.77 23.58 17.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.687 HG23 ' HB3' ' A' ' 20' ' ' HIS . 42.2 mt -79.82 138.13 20.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 111.161 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 133' ' ' ILE . 22.2 mmt180 -32.78 96.07 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.635 0.731 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.23 0.121 0 CA-C-O 120.715 0.214 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.597 ' CD1' HG13 ' A' ' 37' ' ' VAL . 15.9 p-90 -92.77 -43.99 8.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.492 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 22.8 mmtt -41.46 -43.21 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -81.6 -40.81 22.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.4 t -50.99 -39.58 55.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.91 -42.3 26.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -58.97 -61.77 2.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.49 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 12.2 t90 -42.26 -49.59 5.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.844 ' O ' HG22 ' A' ' 23' ' ' VAL . 64.8 mt -51.79 -54.37 29.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 77.0 mt -53.29 -43.69 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -73.11 -28.34 62.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.49 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 68.5 m -72.71 2.02 7.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.822 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt 66.2 46.62 2.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.844 HG22 ' O ' ' A' ' 18' ' ' LEU . 33.4 m -124.84 -29.32 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.803 HD22 ' NE2' ' A' ' 28' ' ' HIS . 81.6 mt -132.14 151.55 78.6 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.614 0.721 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.437 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 54.0 Cg_endo -69.71 167.47 24.29 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.2 p -74.72 -30.34 61.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -106.16 24.92 11.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.803 ' NE2' HD22 ' A' ' 24' ' ' LEU . 5.8 t60 -51.25 -177.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 30' ' ' VAL . 9.2 ptp85 -88.15 -39.23 14.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.473 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 4.3 m -57.15 -20.45 12.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.9 p -74.97 -30.18 61.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -60.0 143.37 51.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.75 -34.79 77.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 t -62.68 -33.02 74.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.4 163.63 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 37' ' ' VAL . 80.0 mt-30 -148.84 161.01 42.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.597 HG13 ' CD1' ' A' ' 11' ' ' TRP . 5.0 m -33.95 -38.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -60.79 -57.23 13.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.47 -57.83 1.71 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.768 HD11 ' CD1' ' A' ' 18' ' ' LEU . 35.8 tp -67.04 -26.16 66.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.38 -23.14 50.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -77.53 -56.14 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.1 t -46.58 -23.95 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' GLY . 26.8 mt -102.09 -33.21 9.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' LEU . 13.3 ttt180 -37.9 -42.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.04 -45.1 83.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 94.32 31.36 8.02 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -107.56 -35.96 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 111.156 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.5 tp -78.95 -47.98 15.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.6 mt -37.78 -58.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.557 ' SG ' HG21 ' A' ' 67' ' ' ILE . 62.9 m -49.49 -42.64 44.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' LEU . 24.5 mt-30 -56.65 -52.0 66.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' GLN . 52.4 tp -34.33 -66.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.633 HD12 HD11 ' A' ' 62' ' ' ILE . 43.0 mt -53.13 -41.51 65.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -61.76 -27.85 69.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -76.42 -43.2 41.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.425 ' HB3' HG22 ' A' ' 127' ' ' ILE . 25.8 mt -70.66 -54.97 9.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.586 ' HB2' HG21 ' A' ' 127' ' ' ILE . 47.1 ttt-85 -116.76 156.95 26.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.47 146.72 23.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 62.37 29.35 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 m -75.59 -43.91 45.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.633 HD11 HD12 ' A' ' 54' ' ' LEU . 59.5 mt -148.99 121.3 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.156 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.478 ' HB3' ' CG ' ' A' ' 66' ' ' GLU . 44.1 t-20 -72.86 109.8 6.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 74.2 mt -47.58 -37.37 12.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -63.81 -32.17 73.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.478 ' CG ' ' HB3' ' A' ' 63' ' ' ASN . 11.2 mm-40 -68.52 -25.18 64.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.557 HG21 ' SG ' ' A' ' 51' ' ' CYS . 25.1 pt -102.86 140.69 20.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.3 m120 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.926 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 25.4 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.855 0.36 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.55 -55.73 31.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.5 mt -65.2 -60.16 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 82.2 m -40.08 -62.01 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.1 mt -48.43 -51.56 26.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -60.62 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' THR . 70.8 m-20 -44.07 -64.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 81' ' ' ASN . 85.3 mt -34.49 -54.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -51.96 -44.85 64.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' ASN . 93.3 m -50.58 -44.43 56.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.09 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.91 -60.53 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.9 mt -47.29 -29.81 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.447 HG22 ' HG3' ' A' ' 91' ' ' GLU . 32.3 m -65.48 -57.07 9.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -53.07 -39.39 63.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.2 -19.26 2.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 69.2 m -113.09 -30.32 7.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.447 ' HG3' HG22 ' A' ' 87' ' ' THR . 8.6 mm-40 -89.67 -53.49 4.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 88' ' ' ALA . 63.6 m -68.26 -55.37 12.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -92.7 -62.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.58 62.26 0.69 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.401 ' SD ' ' OE2' ' A' ' 99' ' ' GLU . 25.1 mtm -107.84 160.27 15.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -57.55 96.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 19.7 ttmt -36.57 -41.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.5 p -51.19 -46.5 62.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 96' ' ' ARG . 4.0 pt-20 -56.21 -36.67 68.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 97' ' ' LYS . 23.0 mt -54.85 -179.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -113.09 176.56 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -79.14 -176.19 5.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.05 -33.19 10.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -81.3 -36.41 29.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.95 -46.05 42.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 27.5 tp -73.4 -54.91 7.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.506 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 22.2 t80 -49.56 -60.88 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -78.88 9.13 4.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 109' ' ' VAL . 6.7 t 40.82 44.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -69.72 -62.06 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -128.3 95.07 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 116' ' ' ILE . 21.5 t80 -70.6 -37.42 73.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.39 -37.29 8.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -65.94 -37.06 85.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.786 0.327 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.6 t -69.53 -41.54 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 112' ' ' PHE . 52.7 mt -59.91 -52.94 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 118' ' ' THR . 13.1 tm-20 -46.43 -58.91 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 117' ' ' GLU . 33.2 m -34.29 -50.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.202 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.68 -47.84 83.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 117' ' ' GLU . 47.9 t -42.06 -45.47 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -75.12 -44.47 46.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 125' ' ' THR . 15.9 tp -42.64 -48.62 5.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 90.3 p -42.31 -44.75 3.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -44.08 -39.66 4.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 122' ' ' LEU . 65.4 p -42.7 147.02 0.66 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.604 0.716 . . . . 0.0 111.134 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 0.76 5.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.706 2.27 . . . . 0.0 112.322 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -96.71 -37.72 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -71.92 -43.51 65.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.29 -40.7 81.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.27 -49.07 5.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.6 p -57.56 -39.53 76.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.99 21.74 11.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.3 mt -78.19 142.08 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 111.098 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -43.79 110.27 0.94 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.795 0.248 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.585 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 6.0 p-90 -65.22 -35.76 82.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.558 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 20.7 mmtt -59.84 -41.38 91.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -68.48 -49.82 56.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 15' ' ' ALA . 43.1 t -49.13 -51.69 30.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -35.18 -43.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -62.1 -58.32 8.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.55 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 29.7 t90 -46.42 -41.96 14.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.886 ' O ' HG22 ' A' ' 23' ' ' VAL . 18.3 mt -60.1 -53.36 58.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.3 mt -55.05 -38.14 45.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.499 ' HB3' HG23 ' A' ' 133' ' ' ILE . 31.1 m-70 -76.21 -31.76 58.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.55 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 65.6 m -71.11 0.4 7.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp 68.89 46.1 0.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.886 HG22 ' O ' ' A' ' 18' ' ' LEU . 29.5 m -122.96 -28.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.68 HD22 ' NE2' ' A' ' 28' ' ' HIS . 84.1 mt -133.91 149.01 70.58 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.573 0.702 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.449 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 54.1 Cg_endo -69.75 167.6 23.96 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.757 2.305 . . . . 0.0 112.332 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.6 p -73.83 -34.61 64.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -103.33 26.54 8.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.68 ' NE2' HD22 ' A' ' 24' ' ' LEU . 7.0 t60 -51.28 -178.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -80.15 -31.3 38.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.7 m -68.73 -18.16 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.5 p -85.65 -23.53 27.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -51.59 154.87 1.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -67.56 -33.5 75.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 m -92.76 31.94 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -96.56 148.52 22.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' VAL . 48.7 mt-30 -141.99 160.47 40.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.585 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 6.7 m -34.22 -43.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.3 -58.12 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -39.97 -56.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.4 tp -67.17 -30.8 70.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.07 -25.59 62.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 44' ' ' LEU . 27.3 mt-30 -77.06 -63.77 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -42.61 -23.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 42' ' ' GLN . 31.7 mt -102.62 -31.19 10.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -40.12 -39.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -58.23 -49.91 75.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.38 28.07 8.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.6 t -104.97 -38.83 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 55.5 tp -74.12 -50.61 18.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' LEU . 14.1 mt -36.47 -54.61 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 53.0 m -54.84 -42.24 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' LEU . 27.2 mt-30 -56.45 -47.38 79.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' GLN . 68.5 tp -37.57 -59.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.927 HD22 ' CE1' ' A' ' 93' ' ' PHE . 78.0 mt -58.37 -47.24 84.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -54.67 -26.77 35.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -78.54 -46.23 20.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.3 mt -68.3 -55.01 13.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.468 ' HB2' HG21 ' A' ' 127' ' ' ILE . 11.2 ttt180 -115.02 158.78 21.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.76 148.74 21.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 58.48 34.54 24.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 m -80.6 -44.4 19.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.458 HD11 HD12 ' A' ' 54' ' ' LEU . 64.2 mt -147.98 127.09 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -77.85 105.91 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 74.5 mt -43.96 -34.09 1.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -64.24 -39.18 93.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.64 -29.91 70.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.595 HG23 HG21 ' A' ' 84' ' ' THR . 22.9 pt -100.55 140.24 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.502 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 45.1 tt0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -49.36 -55.91 11.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 78' ' ' CYS . 46.5 mt -66.79 -65.54 0.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 77' ' ' LEU . 85.6 m -34.55 -57.24 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.8 mt -50.79 -56.79 10.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.04 -55.01 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 82' ' ' ILE . 9.9 m-20 -48.38 -66.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 81' ' ' ASN . 83.7 mt -34.41 -51.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -52.63 -53.75 42.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.813 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.595 HG21 HG23 ' A' ' 67' ' ' ILE . 89.5 m -40.09 -42.33 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -64.22 -67.19 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 101' ' ' PHE . 7.0 mt -42.91 -28.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.1 m -64.68 -56.59 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -53.73 -37.71 63.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 73.0 m -49.52 -28.11 5.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 14.5 t -105.94 -24.79 12.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.93 -59.45 2.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 88' ' ' ALA . 86.2 m -63.76 -54.34 36.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.927 ' CE1' HD22 ' A' ' 54' ' ' LEU . 37.9 m-85 -92.71 -64.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.66 59.27 0.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.431 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.407 ' HE3' HD21 ' A' ' 100' ' ' LEU . 37.7 mtm -99.08 175.28 5.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -77.6 105.75 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -34.22 4.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.9 t -59.05 -35.23 72.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.92 -37.38 64.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.407 HD21 ' HE3' ' A' ' 95' ' ' MET . 76.3 mt -52.83 158.79 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.698 ' CE2' HG13 ' A' ' 115' ' ' VAL . 42.9 p90 -88.3 170.5 10.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -91.15 126.07 36.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.58 -41.68 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 105' ' ' ASP . 12.0 t80 -61.94 -58.96 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 104' ' ' PHE . 80.5 m-20 -36.67 -40.49 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.7 tp -73.51 -52.61 12.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.502 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 22.5 t80 -57.18 -57.39 12.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 109' ' ' VAL . 1.7 t70 -78.81 10.23 3.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' ASP . 3.5 t 37.45 48.78 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -74.69 -66.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -127.58 94.93 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -65.95 -42.1 90.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -44.15 -34.39 3.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.7 mtpt -63.58 -37.01 85.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.698 HG13 ' CE2' ' A' ' 101' ' ' PHE . 61.8 t -71.79 -40.31 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 55.8 mt -58.23 -46.96 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -52.36 -49.96 63.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 98.3 m -44.3 -51.18 8.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.8 mt -62.13 -40.77 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.8 t -50.0 -38.47 37.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 122' ' ' LEU . 38.6 mtp180 -81.61 -53.23 6.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 125' ' ' THR . 32.0 tp -37.15 -51.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.553 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 89.9 p -42.53 -47.43 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -42.57 -39.74 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 122' ' ' LEU . 76.6 p -40.21 149.08 0.31 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.545 0.688 . . . . 0.0 111.159 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.08 11.29 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.242 . . . . 0.0 112.345 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.468 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -93.29 -45.31 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -65.23 -40.87 94.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.1 mt -73.27 -38.72 65.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.19 -43.69 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 42.9 p -62.35 -39.07 91.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.48 25.32 13.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.499 HG23 ' HB3' ' A' ' 20' ' ' HIS . 73.6 mt -83.02 138.23 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.362 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 133' ' ' ILE . 26.3 mmt180 -32.72 95.67 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 133' ' ' ILE . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.708 0.212 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.628 ' CD1' HG13 ' A' ' 37' ' ' VAL . 5.7 p-90 -95.81 -36.91 10.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -53.44 -48.92 68.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -69.15 -48.94 61.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.2 t -41.23 -45.86 2.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.682 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -41.21 -45.51 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -55.27 -66.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.546 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 30.1 t90 -42.03 -40.22 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.83 ' O ' HG22 ' A' ' 23' ' ' VAL . 20.6 mt -61.66 -52.53 63.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.2 mt -56.73 -36.33 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -77.89 -30.96 51.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.546 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 57.3 m -71.92 0.52 9.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt 67.76 50.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.7 m -128.37 -29.92 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.994 HD22 ' CE1' ' A' ' 28' ' ' HIS . 67.4 mt -130.46 146.76 63.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.721 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.472 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.5 Cg_endo -69.7 154.88 67.43 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.0 p -65.32 -27.01 68.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -108.34 22.87 15.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.994 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.8 t-80 -49.25 177.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.08 -16.57 35.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.3 m -82.03 -13.49 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.0 p -83.01 -21.72 33.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -57.45 149.82 20.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -72.55 -15.34 61.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -101.3 21.55 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -95.11 158.64 15.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.077 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -139.22 162.14 35.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.628 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.7 m -37.89 -49.39 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.546 ' CE2' ' OE1' ' A' ' 42' ' ' GLN . 11.4 t80 -42.79 -62.55 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -38.49 -58.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.5 HD11 HD13 ' A' ' 18' ' ' LEU . 51.6 tp -64.95 -24.42 67.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -78.96 -26.35 43.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.546 ' OE1' ' CE2' ' A' ' 38' ' ' PHE . 20.6 mt-30 -73.82 -56.62 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.663 HG23 ' HG ' ' A' ' 44' ' ' LEU . 12.4 t -45.33 -27.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.165 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.663 ' HG ' HG23 ' A' ' 43' ' ' THR . 14.9 mt -102.92 -24.18 13.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -44.65 -31.91 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -53.9 16.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.19 19.24 9.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.48 -34.4 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' GLN . 20.7 tp -76.43 -52.39 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.99 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.552 HD22 ' CE2' ' A' ' 85' ' ' PHE . 12.0 mt -36.18 -56.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.541 ' SG ' HG21 ' A' ' 67' ' ' ILE . 86.7 m -52.4 -41.12 62.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' LEU . 25.8 mt-30 -57.18 -52.01 67.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 tp -38.64 -64.89 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.864 HD12 HD11 ' A' ' 62' ' ' ILE . 51.3 mt -51.17 -41.49 60.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 79.1 m-20 -64.33 -31.19 72.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -72.96 -44.4 61.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.65 -54.25 21.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.801 ' HB2' HG21 ' A' ' 127' ' ' ILE . 10.7 ttt85 -118.25 155.33 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.0 145.5 25.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 60.65 34.63 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -79.91 -43.38 22.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.864 HD11 HD12 ' A' ' 54' ' ' LEU . 36.6 mt -151.03 121.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -73.88 111.72 9.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.567 HD23 HD11 ' A' ' 67' ' ' ILE . 78.5 mt -47.95 -37.21 13.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -57.92 -40.33 80.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -62.4 -27.59 69.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.567 HD11 HD23 ' A' ' 64' ' ' LEU . 26.3 pt -103.56 138.9 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.518 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 33.9 tt0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.835 0.35 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -63.94 -46.56 84.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.8 mt -71.4 -56.95 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 60.7 m -46.36 -57.86 4.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.3 mt -51.63 -55.85 16.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -49.01 -54.5 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 82' ' ' ILE . 61.4 m-20 -45.39 -66.93 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 81' ' ' ASN . 81.8 mt -34.98 -59.15 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -43.13 -53.42 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.53 HG21 ' CG2' ' A' ' 67' ' ' ILE . 88.5 m -42.55 -49.11 5.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.552 ' CE2' HD22 ' A' ' 50' ' ' LEU . 8.9 t80 -59.95 -51.01 71.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.563 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 23.7 mt -59.33 -28.98 67.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 87.5 m -63.85 -64.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -48.1 -42.62 29.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.3 m -43.63 -23.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.406 ' N ' ' C ' ' A' ' 88' ' ' ALA . 46.6 m -106.11 -23.07 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 88' ' ' ALA . 4.7 mt-10 -93.68 -64.62 1.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.9 m -64.92 -43.09 93.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.553 ' CD2' HD11 ' A' ' 122' ' ' LEU . 7.0 m-85 -97.1 -63.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.04 73.95 1.21 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 65.5 mtp -121.54 173.64 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.775 0.322 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.469 ' HB2' ' CG ' ' A' ' 99' ' ' GLU . 51.7 mtt85 -65.68 114.89 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -57.74 -31.83 66.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.0 p -66.57 -25.77 66.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.786 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 96' ' ' ARG . 5.7 mm-40 -74.57 -41.65 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.43 ' HB3' HD22 ' A' ' 86' ' ' LEU . 27.2 mt -48.37 166.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.854 ' CE2' HG13 ' A' ' 115' ' ' VAL . 43.7 p90 -96.02 178.19 5.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -94.48 141.75 28.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.11 -44.17 61.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 108' ' ' ASP . 4.3 t80 -72.37 -48.39 42.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -38.6 -35.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.476 HD13 HG21 ' A' ' 115' ' ' VAL . 23.7 tp -90.5 -47.79 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.518 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 11.3 t80 -51.36 -69.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.509 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 3.6 t0 -67.97 -9.17 43.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.0 t 66.87 37.05 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -61.31 -65.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -131.02 96.23 4.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -70.59 -36.38 73.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.48 -29.63 17.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -68.67 -36.23 78.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.854 HG13 ' CE2' ' A' ' 101' ' ' PHE . 20.8 t -73.93 -37.86 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 49.4 mt -61.23 -47.82 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -49.67 -51.75 35.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.2 m -43.84 -44.02 6.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.76 -31.32 64.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.1 t -60.29 -38.65 84.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -89.54 -34.51 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.553 HD11 ' CD2' ' A' ' 93' ' ' PHE . 44.6 tp -50.49 -49.18 56.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 79.9 p -43.32 -33.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.3 mtt-85 -52.72 -42.53 64.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 76.7 p -40.23 149.94 0.28 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.625 0.726 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -5.56 16.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.801 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -90.61 -38.89 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -70.51 -43.43 69.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 132' ' ' GLY . 54.3 mt -69.84 -39.33 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -39.69 -49.72 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 36.3 p -55.06 -36.9 66.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 100.37 20.36 15.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.6 mt -79.77 135.51 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -45.91 132.33 6.93 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.309 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.764 0.235 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.544 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 12.1 p-90 -95.66 -40.02 9.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.413 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 24.6 mmtt -43.87 -47.0 8.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -77.58 -36.39 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.4 t -51.54 -41.8 61.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.99 -42.81 8.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -59.06 -63.01 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 20.6 t90 -40.35 -43.43 1.76 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.821 ' O ' HG22 ' A' ' 23' ' ' VAL . 81.1 mt -58.57 -51.23 70.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.3 mt -58.12 -41.18 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.724 ' HB3' HG23 ' A' ' 133' ' ' ILE . 36.7 m-70 -74.12 -26.98 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 89.1 m -79.03 7.96 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? 57.05 47.96 16.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.821 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.1 m -125.83 -25.2 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.905 HD22 ' CE1' ' A' ' 28' ' ' HIS . 74.4 mt -136.32 147.79 61.6 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.461 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.6 Cg_endo -69.75 148.95 66.28 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.688 2.258 . . . . 0.0 112.31 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.1 p -62.09 -22.71 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -110.55 20.59 17.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.905 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.5 t-80 -49.42 171.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -81.08 -20.8 40.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 m -74.99 -22.95 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -69.99 -35.39 74.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -54.34 140.56 33.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.01 -48.78 77.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 m -47.69 -31.98 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.63 166.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -149.9 163.11 38.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.544 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 6.6 m -40.76 -41.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' ' CD ' ' A' ' 42' ' ' GLN . 9.8 t80 -54.57 -62.61 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' PHE . 60.5 m-20 -37.27 -58.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.715 HD11 HD11 ' A' ' 18' ' ' LEU . 46.2 tp -62.15 -29.07 70.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -78.83 -13.35 59.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.562 ' CD ' ' CZ ' ' A' ' 38' ' ' PHE . 21.0 mt-30 -87.66 -51.38 5.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -53.82 -20.02 5.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.9 mt -106.89 -21.6 12.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -47.12 -43.2 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.78 -49.35 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.8 26.08 8.73 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.9 t -107.33 -36.57 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.9 tp -76.08 -51.89 11.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -39.76 -50.91 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.414 ' HA ' HD12 ' A' ' 62' ' ' ILE . 99.9 m -55.84 -41.97 75.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' LEU . 23.6 mt-30 -57.87 -49.8 75.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.465 HD21 ' CH2' ' A' ' 17' ' ' TRP . 24.1 tp -37.98 -53.22 1.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.859 HD12 HD11 ' A' ' 62' ' ' ILE . 24.7 mt -63.5 -45.33 91.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -58.09 -21.69 47.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -81.17 -48.64 11.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.7 mt -69.47 -51.42 36.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.442 ' HD2' HG22 ' A' ' 92' ' ' THR . 15.8 ttt-85 -114.76 155.92 25.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.599 ' O ' ' CD2' ' A' ' 60' ' ' HIS . . . -89.87 152.01 21.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 59' ' ' ALA . 28.3 p80 48.93 38.12 11.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.442 ' HB3' HG21 ' A' ' 92' ' ' THR . 1.1 m -80.38 -33.87 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.859 HD11 HD12 ' A' ' 54' ' ' LEU . 54.8 mt -156.1 127.47 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 66' ' ' GLU . 64.2 t-20 -76.89 106.12 8.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.5 mt -46.8 -30.11 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -73.33 -32.76 64.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' ASN . 18.8 mm-40 -69.98 -21.74 63.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 9.2 pt -106.56 130.98 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.153 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.499 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 51.5 tt0 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.859 0.362 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' GLN . 4.3 t80 -35.82 -48.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.7 mt -72.32 -57.54 4.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 10.4 t -44.1 -59.27 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 mt -46.68 -59.42 3.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 83' ' ' ARG . 1.2 tmmm? -50.18 -56.0 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 80' ' ' LYS . 62.9 m-20 -36.96 -50.49 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.5 mt -60.84 -37.78 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 80' ' ' LYS . 10.1 mmt85 -48.29 -62.76 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 m -39.6 -60.67 0.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -44.81 -51.29 9.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.7 mt -61.99 -29.01 69.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.525 HG22 ' HG3' ' A' ' 91' ' ' GLU . 27.0 m -74.75 -44.09 51.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.64 -21.13 66.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.4 m -68.44 -16.61 63.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 37.4 t -121.08 -18.36 7.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.525 ' HG3' HG22 ' A' ' 87' ' ' THR . 7.5 mm-40 -95.02 -43.8 7.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.442 HG21 ' HB3' ' A' ' 61' ' ' SER . 86.1 m -84.35 -44.71 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.475 ' CE2' HD11 ' A' ' 122' ' ' LEU . 35.3 m-85 -97.93 -61.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.03 64.22 0.81 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.546 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.403 ' SD ' ' CD ' ' A' ' 99' ' ' GLU . 10.1 ptp -110.44 -177.67 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.836 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -69.1 96.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -47.76 -19.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.8 m -77.84 -37.38 48.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.425 ' OE2' ' CD ' ' A' ' 121' ' ' ARG . 4.7 pt-20 -62.84 -30.43 71.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.403 ' CD2' ' SD ' ' A' ' 95' ' ' MET . 25.8 mt -52.4 166.38 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.857 ' CE2' HG13 ' A' ' 115' ' ' VAL . 41.5 p90 -99.5 166.69 11.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -81.5 131.7 35.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -45.92 -36.82 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 10.7 t80 -72.32 -51.55 20.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.421 ' OD1' ' C ' ' A' ' 105' ' ' ASP . 0.6 OUTLIER -38.23 -43.26 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.2 tp -79.1 -51.13 9.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.499 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 10.8 t80 -47.83 -59.02 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -82.1 -12.24 58.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.9 t 67.21 38.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -59.85 -62.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -132.22 91.49 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -62.23 -36.6 82.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.11 -36.27 7.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -67.61 -37.46 82.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.857 HG13 ' CE2' ' A' ' 101' ' ' PHE . 21.7 t -69.95 -38.47 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 41.6 mt -63.13 -48.6 86.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -50.99 -47.77 61.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.5 m -43.86 -44.52 6.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.1 mt -70.66 -44.28 67.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -45.18 -29.91 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.425 ' CD ' ' OE2' ' A' ' 99' ' ' GLU . 45.0 mtt180 -92.43 -52.32 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 125' ' ' THR . 34.6 tp -37.05 -41.78 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.563 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 59.6 p -54.48 -47.99 72.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 121' ' ' ARG . 24.4 mmt-85 -39.7 -31.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 122' ' ' LEU . 58.7 p -51.58 151.1 6.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 0.0 111.108 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.49 ' O ' ' HB2' ' A' ' 130' ' ' ALA . 53.4 Cg_endo -69.82 -5.37 16.09 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.313 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.414 HG21 ' HB2' ' A' ' 58' ' ' ARG . 4.6 mp -88.99 -33.04 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -82.22 -47.65 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.83 -35.17 80.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 126' ' ' PRO . . . -48.63 -51.18 29.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 31.8 p -56.81 -37.64 71.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.47 19.57 20.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.724 HG23 ' HB3' ' A' ' 20' ' ' HIS . 60.7 mt -75.27 137.7 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.428 ' HA ' ' HD2' ' A' ' 135' ' ' PRO . 94.3 mtt180 -36.54 98.81 0.16 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.632 0.73 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.296 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.739 0.225 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.602 ' CD1' HG13 ' A' ' 37' ' ' VAL . 16.6 p-90 -60.33 -31.58 70.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -52.7 -68.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -56.6 -41.06 76.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.8 t -45.6 -43.14 11.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.595 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -46.28 -43.89 16.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -55.33 -63.28 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.541 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 43.5 t90 -40.06 -45.03 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.704 ' O ' HG22 ' A' ' 23' ' ' VAL . 20.6 mt -58.47 -52.55 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.8 mt -53.26 -39.56 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -73.91 -38.28 64.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.541 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 58.1 m -65.63 -5.86 9.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt 72.47 51.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 18' ' ' LEU . 5.3 m -127.63 -31.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.012 HD22 ' CE1' ' A' ' 28' ' ' HIS . 69.4 mt -128.44 148.79 69.54 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.604 0.716 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.546 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.81 156.54 62.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.24 . . . . 0.0 112.349 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.5 p -66.48 -27.97 68.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -105.89 18.72 21.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 1.012 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.8 t-80 -45.67 170.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -77.4 -47.23 20.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.5 m -50.82 -31.54 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.48 HG23 ' HB3' ' A' ' 28' ' ' HIS . 38.9 p -55.72 -44.69 77.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -50.43 145.73 6.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -65.75 -27.55 68.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 m -64.17 -35.82 82.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.88 159.38 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' VAL . 65.3 mt-30 -142.58 166.06 25.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.602 HG13 ' CD1' ' A' ' 11' ' ' TRP . 4.7 m -35.93 -40.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -57.47 -64.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -39.72 -56.44 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.4 tp -66.57 -22.67 66.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -80.54 -25.16 38.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -77.23 -53.45 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.578 HG23 ' HG ' ' A' ' 44' ' ' LEU . 14.2 t -46.5 -21.32 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.578 ' HG ' HG23 ' A' ' 43' ' ' THR . 12.9 mt -110.08 -27.67 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.971 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' LEU . 19.0 ttt180 -37.29 -44.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.45 -44.23 84.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 96.35 13.86 46.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.479 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.7 t -87.35 -33.42 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 111.184 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.501 HD23 ' CD2' ' A' ' 44' ' ' LEU . 13.9 tp -77.28 -53.79 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.3 mt -35.96 -56.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.696 ' HA ' HD12 ' A' ' 62' ' ' ILE . 67.3 m -50.22 -41.9 50.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' LEU . 12.1 mt-30 -60.17 -53.19 60.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' GLN . 30.1 tp -36.17 -59.74 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.728 HD12 HD11 ' A' ' 62' ' ' ILE . 50.1 mt -58.3 -36.95 74.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' GLN . 90.0 m-20 -65.85 -24.53 66.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -78.53 -44.47 24.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.8 mt -68.39 -52.91 27.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.586 ' HB2' HG21 ' A' ' 127' ' ' ILE . 25.4 ttt-85 -117.66 159.3 23.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.31 143.47 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 62.33 31.43 17.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.443 ' HB3' HG21 ' A' ' 92' ' ' THR . 1.5 m -75.19 -46.62 32.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.728 HD11 HD12 ' A' ' 54' ' ' LEU . 42.5 mt -143.09 121.3 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -70.21 107.84 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.465 HD23 HD11 ' A' ' 67' ' ' ILE . 84.7 mt -49.81 -29.18 7.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -71.38 -33.49 69.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -70.37 -21.73 62.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.472 HG21 ' SG ' ' A' ' 51' ' ' CYS . 19.0 pt -106.62 142.07 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.434 ' ND2' HD22 ' A' ' 77' ' ' LEU . 54.1 m-80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.866 0.365 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -60.9 -60.57 3.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.434 HD22 ' ND2' ' A' ' 68' ' ' ASN . 71.6 mt -56.9 -62.46 1.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 77' ' ' LEU . 82.7 m -37.18 -59.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.7 mt -52.12 -43.24 63.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -51.32 69.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -50.4 -62.53 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.7 mt -37.76 -56.65 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -46.43 -48.08 18.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.6 m -47.91 -41.13 23.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -66.31 -53.99 30.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 30.8 mt -55.07 -30.74 60.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.518 HG22 ' HG3' ' A' ' 91' ' ' GLU . 20.2 m -73.36 -45.83 52.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.98 -18.3 59.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.4 m -69.74 -24.01 63.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 56.1 m -110.59 -17.63 13.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.518 ' HG3' HG22 ' A' ' 87' ' ' THR . 6.4 mm-40 -92.3 -50.31 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.443 HG23 ' HD3' ' A' ' 58' ' ' ARG . 90.6 m -77.28 -55.43 5.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.598 ' CE2' HD11 ' A' ' 122' ' ' LEU . 13.2 m-85 -86.94 -58.39 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.3 65.52 0.9 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.1 ptp -111.75 -176.33 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -71.09 129.85 40.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -86.01 29.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.0 m -119.34 -28.88 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.732 ' OE2' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -80.27 -23.99 40.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.732 HD23 ' OE2' ' A' ' 99' ' ' GLU . 58.0 mt -51.76 161.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.703 ' CE2' HG13 ' A' ' 115' ' ' VAL . 36.8 p90 -98.91 164.72 12.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -83.58 122.17 28.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -38.82 -40.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -64.59 -50.17 68.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -43.83 -36.35 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.417 HD13 HG21 ' A' ' 115' ' ' VAL . 24.7 tp -80.23 -57.8 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -45.68 -66.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.61 -4.11 14.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.2 t 56.67 33.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -54.72 -74.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -122.23 89.51 3.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -58.34 -38.63 77.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.66 -31.5 5.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -66.85 -36.97 83.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.703 HG13 ' CE2' ' A' ' 101' ' ' PHE . 21.3 t -73.1 -37.0 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 26.9 mt -62.35 -46.71 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -53.29 -51.65 61.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.3 m -40.29 -47.94 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.58 -40.14 95.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.7 t -52.63 -36.24 56.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.1 mtp85 -82.07 -47.68 12.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.598 HD11 ' CE2' ' A' ' 93' ' ' PHE . 16.1 tp -48.72 -46.99 41.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 72.0 p -46.22 -24.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -68.0 -41.96 81.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 58.5 p -39.05 149.55 0.24 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 2.0 3.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -96.69 -39.52 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.39 -40.74 50.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.403 ' CD2' ' HB3' ' A' ' 135' ' ' PRO . 73.8 mt -69.96 -36.36 75.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.77 -49.87 10.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.0 p -57.01 -34.43 68.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.9 23.56 25.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.474 ' O ' ' C ' ' A' ' 134' ' ' ARG . 57.1 mt -79.84 135.92 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.146 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 133' ' ' ILE . 47.5 mtp85 -32.23 95.71 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.634 0.73 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.672 2.248 . . . . 0.0 112.299 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.795 0.248 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.774 ' CD1' HG13 ' A' ' 37' ' ' VAL . 6.5 p-90 -83.73 -33.77 25.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -52.19 -46.02 65.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -75.18 -41.66 57.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.6 t -47.87 -46.81 31.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.95 -43.75 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' TRP . 9.9 mm-40 -57.4 -66.73 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.547 ' CH2' HD21 ' A' ' 53' ' ' LEU . 30.1 t90 -35.79 -49.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.83 ' O ' HG22 ' A' ' 23' ' ' VAL . 26.5 mt -54.68 -53.77 50.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.425 HD11 ' CG2' ' A' ' 31' ' ' THR . 69.9 mt -53.32 -42.04 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.656 ' HB3' HG23 ' A' ' 133' ' ' ILE . 51.6 m-70 -73.19 -31.97 64.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.542 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 56.0 m -72.85 2.04 7.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm 65.41 45.89 2.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 18' ' ' LEU . 16.6 m -122.4 -25.48 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.046 HD22 ' CE1' ' A' ' 28' ' ' HIS . 86.6 mt -134.74 148.88 69.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 54.0 Cg_endo -69.73 166.91 25.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.331 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.9 p -74.46 -30.87 62.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -106.73 26.24 10.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 1.046 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.1 t-160 -50.8 -176.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.79 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -93.26 -18.55 22.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.4 -32.6 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.425 ' CG2' HD11 ' A' ' 19' ' ' ILE . 69.3 p -66.28 -37.38 85.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -51.95 134.77 31.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -51.63 -38.13 53.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -58.58 -43.28 89.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.79 ' HB2' ' O ' ' A' ' 29' ' ' ARG . . . -43.76 162.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 37' ' ' VAL . 86.0 mt-30 -151.94 161.35 42.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.774 HG13 ' CD1' ' A' ' 11' ' ' TRP . 1.7 m -33.57 -49.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.42 ' CE1' HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -49.08 -59.0 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -42.3 -59.56 1.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.6 tp -62.42 -25.13 67.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.53 -20.67 43.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.079 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -81.58 -53.63 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.3 t -50.21 -25.08 3.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' ARG . 36.2 mt -101.61 -31.73 10.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 44' ' ' LEU . 16.5 ttt180 -37.25 -45.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -54.03 -50.19 67.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.91 26.81 7.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.5 t -102.12 -35.93 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 111.132 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 52' ' ' GLN . 45.5 tp -82.35 -49.72 9.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -37.43 -52.83 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.628 ' SG ' HD13 ' A' ' 62' ' ' ILE . 6.5 m -55.37 -42.55 74.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' LEU . 32.8 mt-30 -53.9 -50.46 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.547 HD21 ' CH2' ' A' ' 17' ' ' TRP . 43.6 tp -36.16 -65.55 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.605 HD12 HD11 ' A' ' 62' ' ' ILE . 45.4 mt -52.12 -45.93 65.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -56.13 -30.57 62.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -75.45 -43.65 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.2 mt -68.62 -55.74 10.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.601 ' HB2' HG21 ' A' ' 127' ' ' ILE . 9.1 ttt85 -115.45 157.55 23.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.0 145.24 24.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 61.95 33.64 17.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.5 m -78.37 -44.57 24.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.628 HD13 ' SG ' ' A' ' 51' ' ' CYS . 61.1 mt -147.85 144.57 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.156 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 63' ' ' ASN . 17.6 t-20 -95.45 110.9 22.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.627 HD23 HD11 ' A' ' 67' ' ' ILE . 95.0 mt -48.67 -43.91 37.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' N ' ' HE3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -54.67 -39.94 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' HG3' ' ND2' ' A' ' 63' ' ' ASN . 17.4 mt-10 -65.59 -24.57 67.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.627 HD11 HD23 ' A' ' 64' ' ' LEU . 15.0 pt -106.11 134.94 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.8 m120 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.901 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 107' ' ' PHE . 38.0 tt0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.854 0.359 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -66.02 -58.6 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.3 mt -55.92 -47.94 76.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.0 m -55.19 -62.64 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.0 mt -46.81 -45.71 20.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -53.55 55.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -46.74 -58.32 3.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.7 mt -43.9 -50.33 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mtp-105 -51.9 -44.43 63.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.1 m -51.67 -50.19 60.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -58.81 -66.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.616 HD21 ' CE1' ' A' ' 101' ' ' PHE . 30.1 mt -38.05 -37.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.717 HG22 ' HG3' ' A' ' 91' ' ' GLU . 85.5 m -63.4 -54.26 39.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.02 -42.03 60.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 69.7 m -48.47 -21.77 0.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 9.6 t -113.32 -27.08 8.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.717 ' HG3' HG22 ' A' ' 87' ' ' THR . 13.4 mt-10 -83.18 -54.18 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.8 m -72.63 -48.19 41.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.433 ' CD2' HD13 ' A' ' 127' ' ' ILE . 19.0 m-85 -94.56 -69.28 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.92 56.15 0.59 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 12.1 ptm -104.46 172.76 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.722 0.296 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -65.05 116.76 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -58.48 -43.65 89.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.8 p -48.24 -34.68 10.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -66.56 -42.84 86.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.7 mt -47.96 168.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CE2' HG13 ' A' ' 115' ' ' VAL . 37.4 p90 -97.01 176.83 5.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -92.84 142.7 27.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.82 -56.75 10.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 105' ' ' ASP . 7.6 t80 -59.1 -54.02 51.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -34.68 -43.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.57 HD13 HG21 ' A' ' 115' ' ' VAL . 33.5 tp -80.99 -44.26 18.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.526 ' CZ ' ' HG3' ' A' ' 75' ' ' GLN . 20.5 t80 -54.28 -56.3 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.77 18.66 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 109' ' ' VAL . 9.0 t 39.11 36.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -56.45 -65.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -131.27 89.02 2.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -61.95 -39.37 91.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.88 -37.29 4.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -64.02 -37.21 86.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.623 HG13 ' CE2' ' A' ' 101' ' ' PHE . 37.3 t -71.2 -40.43 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.6 -48.58 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -52.1 -49.69 63.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 93.9 m -41.14 -50.22 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.9 mt -60.64 -44.15 96.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.0 t -49.96 -42.07 47.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -78.22 -40.87 36.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.2 tp -57.83 -34.28 69.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 27.8 p -59.56 -29.7 68.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 124' ' ' ARG . 5.4 mmm180 -60.16 -40.23 89.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 82.5 p -38.42 149.61 0.21 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.564 0.697 . . . . 0.0 111.153 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.414 ' O ' ' HB2' ' A' ' 130' ' ' ALA . 54.0 Cg_endo -69.77 1.62 4.28 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.633 2.222 . . . . 0.0 112.352 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.601 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.0 mp -97.31 -42.23 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -68.47 -39.77 81.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 49.7 mt -75.56 -36.25 60.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 126' ' ' PRO . . . -46.29 -43.88 16.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 35.7 p -63.85 -37.29 86.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.6 27.22 11.84 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.656 HG23 ' HB3' ' A' ' 20' ' ' HIS . 66.0 mt -85.38 142.14 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 133' ' ' ILE . 67.0 mtp180 -34.02 97.07 0.11 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.199 0 C-N-CA 122.639 2.226 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.122 0 CA-C-O 120.767 0.236 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.733 ' CD1' HG13 ' A' ' 37' ' ' VAL . 6.8 p-90 -87.15 -37.97 16.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -48.97 -49.65 39.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -71.31 -43.61 66.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.8 t -43.87 -50.37 7.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -38.6 -44.14 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -56.58 -66.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.549 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 25.3 t90 -39.02 -44.94 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.829 ' O ' HG22 ' A' ' 23' ' ' VAL . 51.9 mt -57.5 -53.82 53.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.1 mt -53.57 -40.77 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -74.17 -32.6 63.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.549 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 87.9 m -71.11 -0.54 9.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp 67.82 49.29 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.829 HG22 ' O ' ' A' ' 18' ' ' LEU . 27.8 m -125.13 -27.04 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.948 HD22 ' CE1' ' A' ' 28' ' ' HIS . 91.2 mt -133.77 151.94 77.9 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.493 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.6 Cg_endo -69.8 163.8 36.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.4 p -71.62 -29.7 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.56 21.71 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.948 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.3 t-160 -48.24 170.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.786 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -77.41 -43.72 31.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 m -51.26 -31.08 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 p -63.04 -42.39 99.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 14.3 m95 -49.57 128.38 17.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -48.97 -39.09 25.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.807 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 m -56.31 -40.39 74.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.422 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -46.5 163.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.422 ' HG3' ' C ' ' A' ' 35' ' ' ALA . 34.6 mt-30 -149.42 165.65 31.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.733 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.5 m -36.08 -51.26 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.444 ' H ' HG23 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -46.84 -60.01 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.2 -59.98 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.4 tp -63.37 -27.4 69.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.56 -21.41 57.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -81.68 -55.72 4.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.546 HG23 ' HG ' ' A' ' 44' ' ' LEU . 14.2 t -48.41 -22.92 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.589 ' CD2' HD23 ' A' ' 49' ' ' LEU . 21.3 mt -104.14 -29.74 10.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -40.01 -41.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -57.26 -47.01 82.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.23 20.15 26.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.1 t -97.76 -31.22 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 111.095 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.589 HD23 ' CD2' ' A' ' 44' ' ' LEU . 53.4 tp -80.04 -45.52 18.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -40.27 -57.48 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.781 ' SG ' HG21 ' A' ' 67' ' ' ILE . 67.9 m -50.12 -42.85 51.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -56.32 -46.21 79.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.0 tp -42.76 -64.18 0.66 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.552 HD22 ' CE1' ' A' ' 93' ' ' PHE . 81.8 mt -55.71 -44.01 77.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 60.1 m-20 -60.53 -24.07 65.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -80.7 -45.11 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.1 mt -68.95 -51.4 40.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.404 ' HB2' HG21 ' A' ' 127' ' ' ILE . 12.4 ttt85 -116.9 157.77 25.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.18 140.03 30.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.6 m170 64.84 33.8 9.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -76.8 -45.88 27.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 51' ' ' CYS . 68.5 mt -147.92 135.76 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 65' ' ' LYS . 22.8 t-20 -82.24 118.6 23.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.485 HD23 HD11 ' A' ' 67' ' ' ILE . 88.7 mt -55.14 -44.96 75.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -56.62 -35.16 67.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.85 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.95 -27.11 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.781 HG21 ' SG ' ' A' ' 51' ' ' CYS . 21.5 pt -101.46 130.05 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 43.0 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.861 0.362 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -71.59 -47.27 55.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.84 -51.59 68.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 93.4 m -57.98 -61.43 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.9 mt -45.84 -46.29 15.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.52 -57.17 11.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -44.0 -61.68 1.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.716 HD13 HD23 ' A' ' 106' ' ' LEU . 87.9 mt -38.93 -55.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -47.01 -46.59 21.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.1 m -48.14 -41.44 26.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -66.26 -62.4 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.0 mt -45.62 -30.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.558 HG22 ' HG3' ' A' ' 91' ' ' GLU . 21.9 m -65.81 -56.08 13.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -55.02 -35.69 64.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.58 -21.56 17.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 44.8 t -112.4 -28.73 7.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.558 ' HG3' HG22 ' A' ' 87' ' ' THR . 8.8 mm-40 -89.18 -54.0 4.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 88' ' ' ALA . 71.3 m -68.68 -58.15 4.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.552 ' CE1' HD22 ' A' ' 54' ' ' LEU . 6.6 m-85 -88.71 -66.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.59 60.51 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.513 ' SD ' HD21 ' A' ' 100' ' ' LEU . 25.2 ptm -104.68 165.78 10.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 96' ' ' ARG . 0.5 OUTLIER -56.91 101.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -50.21 -31.04 12.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.2 t -61.61 -31.17 71.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.435 ' CD ' ' HB2' ' A' ' 96' ' ' ARG . 45.5 mt-10 -71.39 -41.31 69.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.513 HD21 ' SD ' ' A' ' 95' ' ' MET . 57.9 mt -45.89 165.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.641 ' CE2' HG13 ' A' ' 115' ' ' VAL . 54.0 p90 -98.13 -176.89 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -101.69 132.02 47.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -47.32 -43.92 23.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 105' ' ' ASP . 13.4 t80 -59.98 -62.4 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 104' ' ' PHE . 43.2 m-20 -34.75 -43.04 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.716 HD23 HD13 ' A' ' 82' ' ' ILE . 25.5 tp -70.87 -60.18 2.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 23.1 t80 -48.99 -58.57 4.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -77.56 4.16 11.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 109' ' ' VAL . 13.7 t 41.29 50.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.075 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 110' ' ' ARG . 9.7 mtp-105 -77.5 -60.82 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.44 86.57 2.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -64.52 -40.21 95.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.83 -32.95 2.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -68.1 -37.73 81.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.641 HG13 ' CE2' ' A' ' 101' ' ' PHE . 42.3 t -68.98 -39.41 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 mt -59.39 -49.95 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -52.55 -47.58 66.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 96.8 m -42.78 -41.4 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.8 mt -73.29 -41.29 63.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 65.8 m -49.33 -38.75 29.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 37.7 mtt85 -81.85 -46.61 13.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.6 tp -45.29 -45.12 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.452 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 95.7 p -46.15 -34.65 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -52.28 -41.56 62.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 72.9 p -39.43 148.17 0.29 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -0.51 7.01 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.404 HG21 ' HB2' ' A' ' 58' ' ' ARG . 4.9 mp -94.67 -40.74 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -69.89 -42.32 73.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.41 ' CD2' ' HB3' ' A' ' 135' ' ' PRO . 52.1 mt -70.67 -38.26 73.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.2 -45.1 5.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 38.4 p -61.66 -37.51 84.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.61 26.15 12.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' A' ' 134' ' ' ARG . 56.3 mt -85.17 138.11 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 111.121 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 133' ' ' ILE . 65.5 mtp85 -32.77 96.13 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.25 . . . . 0.0 112.341 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.757 0.232 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.634 ' CD1' HG13 ' A' ' 37' ' ' VAL . 7.5 p-90 -94.17 -29.16 15.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.402 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 17.8 mmtt -57.2 -42.53 81.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -80.31 -37.04 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.1 t -51.98 -48.42 64.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -39.81 -44.99 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -54.28 -63.59 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 16.7 t90 -42.57 -43.71 3.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.884 ' O ' HG22 ' A' ' 23' ' ' VAL . 95.6 mt -59.89 -52.42 65.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.6 mt -56.96 -37.89 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.682 ' HB3' HG23 ' A' ' 133' ' ' ILE . 20.2 m-70 -80.22 -24.54 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 57.4 m -79.69 11.38 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? 56.97 46.85 18.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.884 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.9 m -125.29 -26.96 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.034 HD22 ' CE1' ' A' ' 28' ' ' HIS . 89.0 mt -136.56 148.95 65.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.548 0.69 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.459 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.78 160.76 48.51 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.725 2.283 . . . . 0.0 112.348 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.6 p -70.34 -26.76 63.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -107.8 20.19 19.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 1.034 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.4 t-160 -46.49 170.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 10.8 ptp180 -78.01 -23.52 48.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 m -76.92 -12.9 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -80.74 -23.58 39.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -69.96 139.48 52.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -31.93 62.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.5 t -64.15 -32.11 73.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.824 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 29' ' ' ARG . . . -62.75 159.57 16.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.423 ' HG3' ' C ' ' A' ' 35' ' ' ALA . 58.1 mt-30 -148.61 173.12 13.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.634 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.7 m -36.18 -47.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -50.3 -62.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -40.18 -58.11 1.55 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.718 HD11 ' CD1' ' A' ' 18' ' ' LEU . 56.5 tp -67.82 -20.95 65.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -85.65 -11.53 53.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -87.74 -55.7 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.726 HG23 HD23 ' A' ' 44' ' ' LEU . 5.9 t -47.08 -23.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.726 HD23 HG23 ' A' ' 43' ' ' THR . 10.7 mt -99.52 -32.04 11.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -38.36 -42.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -61.4 -46.91 88.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.8 24.85 11.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.4 t -100.41 -29.86 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.843 0.354 . . . . 0.0 111.094 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' GLN . 38.7 tp -85.08 -54.13 4.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 49' ' ' LEU . 10.5 mt -35.17 -56.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.6 m -50.62 -44.19 57.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.0 mt-30 -53.87 -48.77 69.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.5 tp -40.62 -63.03 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.669 HD12 HD11 ' A' ' 62' ' ' ILE . 36.8 mt -54.09 -39.35 66.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -66.25 -24.89 66.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -79.5 -43.91 22.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.429 ' HB3' HG22 ' A' ' 127' ' ' ILE . 29.3 mt -69.79 -56.09 8.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.5 ' HB2' HG21 ' A' ' 127' ' ' ILE . 8.1 ttt85 -114.07 151.86 31.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.69 145.18 26.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 60.73 34.09 20.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 m -77.58 -45.99 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.669 HD11 HD12 ' A' ' 54' ' ' LEU . 59.6 mt -146.52 130.06 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -77.85 109.55 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.529 HD23 HD11 ' A' ' 67' ' ' ILE . 97.3 mt -49.85 -37.91 32.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 65' ' ' LYS . 11.2 mptt -62.43 -37.56 86.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -65.17 -27.94 69.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.529 HD11 HD23 ' A' ' 64' ' ' LEU . 22.9 pt -101.24 138.07 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.415 ' ND2' ' ND2' ' A' ' 81' ' ' ASN . 3.0 p-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.793 0.33 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -63.61 -63.57 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.401 ' HB3' ' ND2' ' A' ' 68' ' ' ASN . 77.6 mt -54.79 -54.71 38.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 64.4 m -48.43 -55.49 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.3 mt -54.43 -45.68 73.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -57.36 -59.55 4.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.809 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' LYS . 30.0 m-20 -37.15 -59.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.5 mt -45.12 -50.44 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -55.08 -47.68 74.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 39.4 m -50.77 -37.2 40.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.464 ' CD2' ' N ' ' A' ' 86' ' ' LEU . 1.8 t80 -74.81 -60.08 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 85' ' ' PHE . 19.8 mt -42.44 -37.17 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.778 HG22 ' HG3' ' A' ' 91' ' ' GLU . 24.2 m -68.44 -50.85 49.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.087 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.98 -35.12 58.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.0 m -55.24 -14.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 91' ' ' GLU . 0.8 OUTLIER -119.07 -40.7 2.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.778 ' HG3' HG22 ' A' ' 87' ' ' THR . 12.2 mt-10 -72.04 -42.47 66.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 93.7 m -84.75 -48.88 8.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -94.01 -66.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.87 59.25 0.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 25.9 mtp -108.9 163.72 13.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.771 0.32 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.3 mmp_? -58.52 101.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.432 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 12.4 mtmm -44.15 -24.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 94.1 p -65.85 -43.25 89.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -59.4 -30.34 68.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.432 ' CD1' ' HA ' ' A' ' 97' ' ' LYS . 34.1 mt -55.97 166.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.412 ' CE1' HG13 ' A' ' 115' ' ' VAL . 28.1 p90 -103.89 164.02 11.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.456 ' N ' ' OD2' ' A' ' 105' ' ' ASP . 11.6 tt0 -70.35 153.09 43.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.6 -21.33 60.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 21.0 t80 -90.3 -51.25 5.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.456 ' OD2' ' N ' ' A' ' 102' ' ' GLU . 0.6 OUTLIER -38.15 -39.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.453 HD13 HG11 ' A' ' 115' ' ' VAL . 18.0 tp -77.82 -49.38 14.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -53.78 -58.35 7.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -79.25 2.89 19.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.1 t 50.33 35.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -56.44 -67.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -130.53 92.45 3.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 116' ' ' ILE . 13.9 t80 -62.13 -33.41 74.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -47.53 -36.15 11.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -68.1 -35.37 78.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.453 HG11 HD13 ' A' ' 106' ' ' LEU . 11.1 t -72.31 -36.67 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 112' ' ' PHE . 57.6 mt -65.64 -53.59 37.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -45.71 -50.69 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.5 m -44.96 -46.08 10.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.15 -36.72 82.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.9 p -54.07 -40.32 67.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -80.92 -48.95 11.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.539 ' O ' HG23 ' A' ' 125' ' ' THR . 9.7 tp -40.07 -51.34 2.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.586 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 94.5 p -42.7 -41.45 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -45.06 -41.15 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 122' ' ' LEU . 77.6 p -40.08 147.33 0.36 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.545 0.688 . . . . 0.0 111.129 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -0.55 7.02 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.71 2.274 . . . . 0.0 112.346 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.5 HG21 ' HB2' ' A' ' 58' ' ' ARG . 4.7 mp -94.99 -35.75 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -74.2 -44.84 51.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 42.7 mt -69.36 -39.1 78.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.52 -49.23 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.0 p -57.24 -36.67 71.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.74 22.34 21.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.682 HG23 ' HB3' ' A' ' 20' ' ' HIS . 55.7 mt -81.91 143.73 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 135' ' ' PRO . 22.8 mmm180 -41.14 101.75 0.25 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.354 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.778 0.241 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.772 ' CD1' HG13 ' A' ' 37' ' ' VAL . 5.9 p-90 -82.21 -36.61 27.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -52.47 -49.39 64.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -69.68 -43.47 72.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.3 t -47.71 -39.88 18.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -47.8 -46.12 30.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -55.33 -64.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.54 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 36.2 t90 -39.27 -44.03 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.899 ' O ' HG22 ' A' ' 23' ' ' VAL . 27.4 mt -58.38 -48.92 79.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.402 HG21 ' HA ' ' A' ' 26' ' ' THR . 66.7 mt -57.27 -43.82 82.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.571 ' HB3' HG23 ' A' ' 133' ' ' ILE . 22.6 m-70 -71.22 -31.43 67.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.54 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 56.2 m -69.6 -1.84 9.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.1 mmtt 68.9 49.26 0.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.899 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.0 m -127.24 -29.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.644 HD22 ' NE2' ' A' ' 28' ' ' HIS . 82.5 mt -131.31 150.92 77.82 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.475 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.77 147.13 62.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.402 ' HA ' HG21 ' A' ' 19' ' ' ILE . 62.0 p -59.57 -25.58 64.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -110.22 25.45 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.644 ' NE2' HD22 ' A' ' 24' ' ' LEU . 9.3 t60 -52.31 -179.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -84.0 -40.37 18.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.425 HG22 ' HD2' ' A' ' 28' ' ' HIS . 16.3 m -55.05 -26.33 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.7 p -68.05 -30.53 69.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -63.26 125.3 23.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -42.7 -35.26 1.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.4 t -60.18 -40.31 89.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.416 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . . . -45.99 157.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.075 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' VAL . 40.2 mt-30 -144.51 163.41 33.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.772 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.4 m -36.14 -47.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.478 ' CE1' HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -51.7 -60.48 3.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -42.28 -58.74 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 18' ' ' LEU . 39.9 tp -64.39 -20.19 65.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -84.48 -20.68 31.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -81.23 -46.29 15.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.434 HG23 ' HG ' ' A' ' 44' ' ' LEU . 5.8 t -54.87 -20.75 9.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' ARG . 15.1 mt -106.4 -32.26 8.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 44' ' ' LEU . 19.1 ttt180 -35.63 -48.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.89 -53.35 53.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.98 20.49 10.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.4 t -95.75 -28.93 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 111.149 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.2 tp -85.45 -54.88 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' LEU . 13.0 mt -34.6 -59.4 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.454 ' HA ' HD12 ' A' ' 62' ' ' ILE . 54.8 m -47.23 -41.88 19.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' LEU . 25.1 mt-30 -57.53 -51.53 69.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' GLN . 46.3 tp -35.66 -57.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.679 HD22 ' CE1' ' A' ' 93' ' ' PHE . 74.9 mt -60.43 -43.33 96.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -60.28 -21.92 62.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -81.26 -41.76 21.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.5 mt -73.29 -54.27 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.58 ' HB2' HG21 ' A' ' 127' ' ' ILE . 10.4 ttt85 -116.67 152.78 33.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.14 148.55 25.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.8 m170 57.43 33.38 23.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.6 m -75.17 -41.81 57.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.6 HD11 HD12 ' A' ' 54' ' ' LEU . 57.0 mt -148.98 133.28 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' GLU . 46.3 t-20 -80.84 101.94 9.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.2 mt -42.42 -34.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -66.82 -38.41 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 63' ' ' ASN . 16.6 mt-10 -66.11 -16.89 64.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.582 ' CG2' HG21 ' A' ' 84' ' ' THR . 28.1 pt -114.63 141.35 31.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.48 ' HG2' HD12 ' A' ' 79' ' ' LEU . 34.0 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.836 0.35 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -69.46 -53.4 19.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.0 -45.29 94.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 41.1 m -60.32 -63.61 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.48 HD12 ' HG2' ' A' ' 75' ' ' GLN . 18.4 mt -43.12 -49.51 6.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -51.19 70.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -45.57 -60.59 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 68.3 mt -42.88 -47.97 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.4 ' HA ' HD12 ' A' ' 86' ' ' LEU . 14.2 mtt-85 -59.36 -43.81 92.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.582 HG21 ' CG2' ' A' ' 67' ' ' ILE . 62.2 m -51.87 -38.08 54.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -71.37 -52.32 19.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 83' ' ' ARG . 25.7 mt -51.24 -30.2 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.543 HG22 ' HG3' ' A' ' 91' ' ' GLU . 30.4 m -67.87 -52.35 37.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.42 -34.02 66.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.9 m -61.56 -13.29 20.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.562 ' SG ' HD11 ' A' ' 100' ' ' LEU . 98.5 m -118.65 -23.82 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.543 ' HG3' HG22 ' A' ' 87' ' ' THR . 5.2 mm-40 -93.69 -55.76 3.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.3 m -66.79 -59.89 3.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.679 ' CE1' HD22 ' A' ' 54' ' ' LEU . 38.1 m-85 -85.2 -62.1 1.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.77 66.48 0.67 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 53.7 mtp -106.88 177.81 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.745 0.307 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -77.89 116.32 18.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -57.72 -31.77 66.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.9 m -66.9 -18.21 65.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -87.72 -37.23 16.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.562 HD11 ' SG ' ' A' ' 90' ' ' CYS . 47.2 mt -51.64 158.79 0.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.447 ' CD2' HG22 ' A' ' 115' ' ' VAL . 34.4 p90 -91.59 159.79 15.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -66.07 -178.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -94.63 -38.73 10.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.642 ' CZ ' ' CG ' ' A' ' 108' ' ' ASP . 8.8 t80 -74.47 -45.55 45.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' PHE . 3.3 p-10 -37.42 -41.55 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.8 tp -83.95 -52.01 6.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -46.64 -58.13 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.642 ' CG ' ' CZ ' ' A' ' 104' ' ' PHE . 1.2 m-20 -85.2 18.12 2.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.478 HG21 ' CE1' ' A' ' 38' ' ' PHE . 3.6 t 35.41 41.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.409 ' NE ' ' HB3' ' A' ' 108' ' ' ASP . 1.3 mmp_? -69.43 -68.7 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -119.21 84.76 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -65.05 -37.32 87.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -47.81 -39.01 16.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -61.67 -35.73 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.447 HG22 ' CD2' ' A' ' 101' ' ' PHE . 38.5 t -72.34 -39.35 63.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 44.8 mt -58.24 -51.21 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.34 -40.82 75.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.0 m -45.79 -37.34 5.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 120' ' ' SER . 40.5 mt -73.99 -47.84 34.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 119' ' ' LEU . 8.6 t -34.87 -46.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.498 ' O ' ' CD ' ' A' ' 124' ' ' ARG . 62.8 mtt-85 -72.69 -59.68 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 2.8 tp -42.04 -25.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 121' ' ' ARG . 3.8 p -79.6 15.55 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.498 ' CD ' ' O ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -110.41 -17.83 13.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.486 HG22 ' HE ' ' A' ' 124' ' ' ARG . 78.0 p -60.35 153.48 58.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 111.152 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.65 3.71 2.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.58 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.4 mp -107.18 -30.65 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.01 -37.08 55.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 132' ' ' GLY . 37.9 mt -78.07 -40.84 37.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -39.11 -38.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.7 p -64.82 -39.38 93.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 96.23 28.52 9.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.446 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.571 HG23 ' HB3' ' A' ' 20' ' ' HIS . 30.2 mt -87.67 139.55 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 133' ' ' ILE . 89.8 mtt180 -34.13 97.11 0.11 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.568 0.699 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 133' ' ' ILE . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.172 0 C-N-CA 122.739 2.293 . . . . 0.0 112.355 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.747 0.228 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.533 ' CD1' HG13 ' A' ' 37' ' ' VAL . 5.6 p-90 -88.87 -37.08 15.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.489 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 3.8 mmmp? -55.54 -47.57 76.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -70.52 -47.81 58.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.1 t -41.31 -42.16 2.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.674 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -45.73 -49.61 14.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -51.93 -61.79 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.534 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 29.2 t90 -46.21 -40.53 11.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.864 ' O ' HG22 ' A' ' 23' ' ' VAL . 20.6 mt -63.03 -49.55 74.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.2 mt -57.45 -38.09 61.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.492 ' HB3' HG23 ' A' ' 133' ' ' ILE . 19.2 m-70 -78.54 -29.57 46.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.534 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 52.4 m -71.49 0.88 7.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm 67.57 48.98 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.864 HG22 ' O ' ' A' ' 18' ' ' LEU . 33.8 m -127.97 -30.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.881 HD22 ' CE1' ' A' ' 28' ' ' HIS . 86.8 mt -129.79 148.03 67.83 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.625 0.726 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 54.1 Cg_endo -69.73 158.29 57.49 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.694 2.262 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.1 p -69.32 -23.5 63.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -111.14 22.04 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.881 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.4 t-80 -48.94 178.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.27 -6.9 43.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.493 HG13 ' ND1' ' A' ' 28' ' ' HIS . 12.2 m -87.15 -12.81 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.4 p -84.58 -21.61 30.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.43 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 16.3 m95 -66.66 130.09 42.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -45.05 -52.25 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 p -47.79 -34.87 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 32' ' ' TRP . . . -46.47 160.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.08 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HG3' ' C ' ' A' ' 35' ' ' ALA . 52.6 mt-30 -147.33 163.1 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.533 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.8 m -37.25 -48.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.487 ' O ' ' N ' ' A' ' 41' ' ' ALA . 12.1 t80 -47.58 -62.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' PHE . 1.4 m-20 -36.04 -58.91 0.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.49 HD11 HD13 ' A' ' 18' ' ' LEU . 62.4 tp -66.52 -29.59 69.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -74.57 -20.65 59.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.091 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.487 ' OE1' ' CE2' ' A' ' 38' ' ' PHE . 22.5 mt-30 -78.99 -61.35 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.431 HG23 ' HG ' ' A' ' 44' ' ' LEU . 4.1 t -43.28 -23.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.132 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 49' ' ' LEU . 12.5 mt -105.92 -26.55 11.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 34.8 ttt180 -43.52 -36.53 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -67.81 -55.73 11.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.15 32.88 2.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.482 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.3 t -106.43 -30.63 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 52' ' ' GLN . 17.6 tp -85.52 -54.34 4.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.6 mt -34.36 -58.58 0.47 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.412 ' SG ' HG21 ' A' ' 67' ' ' ILE . 85.4 m -48.87 -41.97 35.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' LEU . 23.4 mt-30 -58.2 -52.18 66.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' GLN . 58.4 tp -34.22 -65.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.7 HD12 HD11 ' A' ' 62' ' ' ILE . 59.8 mt -53.97 -46.83 71.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 73.9 m-20 -55.46 -30.77 61.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -74.83 -43.77 52.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.45 ' HB3' HG22 ' A' ' 127' ' ' ILE . 31.1 mt -67.68 -58.34 4.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.545 ' HB2' HG21 ' A' ' 127' ' ' ILE . 11.4 ttt85 -113.86 157.98 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.8 144.56 25.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 62.26 33.76 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -79.57 -45.19 19.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.7 HD11 HD12 ' A' ' 54' ' ' LEU . 65.9 mt -148.56 128.98 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -82.0 114.61 20.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.495 HD23 HD11 ' A' ' 67' ' ' ILE . 95.9 mt -52.57 -36.49 55.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -63.49 -36.86 85.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.62 -26.51 67.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.495 HD11 HD23 ' A' ' 64' ' ' LEU . 21.3 pt -102.58 138.92 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.539 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 27.3 tt0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.817 0.342 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -80.32 -58.75 2.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.3 mt -52.29 -54.42 31.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.6 m -50.7 -66.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.2 mt -49.18 -39.57 29.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -56.9 15.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.457 ' ND2' ' OD1' ' A' ' 68' ' ' ASN . 40.4 m-20 -49.2 -63.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.643 ' CD1' HD23 ' A' ' 106' ' ' LEU . 85.0 mt -36.84 -58.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.181 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -43.68 -48.96 7.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.9 m -46.22 -44.96 16.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.25 -55.74 25.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.96 -28.46 16.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.55 HG22 ' HG3' ' A' ' 91' ' ' GLU . 37.2 m -73.75 -49.17 26.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.18 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.1 -32.88 71.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.78 -22.71 62.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.9 t -110.32 -22.27 11.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.55 ' HG3' HG22 ' A' ' 87' ' ' THR . 30.4 mm-40 -92.13 -54.43 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.1 m -75.05 -46.55 34.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.482 ' CE2' HD11 ' A' ' 122' ' ' LEU . 9.5 m-85 -93.23 -70.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 116.81 53.59 0.33 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.577 ' HE2' HD13 ' A' ' 122' ' ' LEU . 15.3 mtm -100.94 159.21 15.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.327 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -67.71 129.71 40.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.447 ' HD2' HD12 ' A' ' 100' ' ' LEU . 12.2 tptm -63.64 -32.52 74.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.5 m -66.71 -17.45 64.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -87.31 -35.38 18.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.447 HD12 ' HD2' ' A' ' 97' ' ' LYS . 26.7 mt -57.96 176.03 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.716 ' CE2' HG13 ' A' ' 115' ' ' VAL . 38.7 p90 -104.91 169.02 8.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 103' ' ' ALA . 13.1 tp10 -85.62 120.11 26.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 102' ' ' GLU . . . -34.5 -47.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.078 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 105' ' ' ASP . 13.2 t80 -59.34 -56.73 18.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 104' ' ' PHE . 55.7 m-20 -34.79 -38.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.643 HD23 ' CD1' ' A' ' 82' ' ' ILE . 16.5 tp -79.99 -56.46 4.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 9.9 t80 -48.18 -67.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -69.59 -10.62 58.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 109' ' ' VAL . 40.0 t 62.0 48.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -71.7 -63.78 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -130.41 100.02 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.632 ' CD2' HD11 ' A' ' 116' ' ' ILE . 29.5 t80 -68.83 -43.15 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.34 -33.02 1.93 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -66.73 -37.52 84.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.716 HG13 ' CE2' ' A' ' 101' ' ' PHE . 41.2 t -73.47 -37.9 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.632 HD11 ' CD2' ' A' ' 112' ' ' PHE . 56.4 mt -62.36 -46.09 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 118' ' ' THR . 8.9 tp10 -51.73 -56.99 10.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 117' ' ' GLU . 59.8 m -36.19 -47.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.462 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 14.1 mt -67.82 -48.94 64.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 62.4 m -43.15 -42.9 4.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 4.1 ptp180 -83.37 -45.8 13.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.668 ' O ' HG23 ' A' ' 125' ' ' THR . 16.3 tp -40.08 -45.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.476 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 84.1 p -44.63 -43.31 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 125' ' ' THR . 0.4 OUTLIER -42.01 -38.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 122' ' ' LEU . 60.3 p -44.82 148.94 0.87 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 111.148 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.451 ' O ' ' HB2' ' A' ' 130' ' ' ALA . 53.5 Cg_endo -69.83 1.56 4.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.313 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.545 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.4 mp -95.33 -48.54 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -61.29 -47.36 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 29.7 mt -68.29 -36.26 79.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 126' ' ' PRO . . . -45.76 -49.24 15.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.7 p -56.79 -36.59 70.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 97.86 22.57 15.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.492 HG23 ' HB3' ' A' ' 20' ' ' HIS . 63.4 mt -81.57 145.51 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 111.138 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 44.3 mmt-85 -47.87 107.55 0.76 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.563 0.697 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.358 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.181 0 CA-C-O 120.736 0.223 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.658 ' CD1' HG13 ' A' ' 37' ' ' VAL . 48.1 p-90 -72.09 -42.55 66.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.593 ' HE2' ' CH2' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -34.21 -56.3 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -68.48 -42.47 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.0 t -45.23 -50.62 11.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -38.46 -51.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -47.67 -63.66 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.545 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 20.6 t90 -44.75 -47.95 10.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.931 ' O ' HG22 ' A' ' 23' ' ' VAL . 27.3 mt -55.95 -51.7 66.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.6 mt -55.21 -42.64 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.437 ' HB3' HG23 ' A' ' 133' ' ' ILE . 14.7 m-70 -74.84 -27.95 60.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 61.9 m -73.65 3.31 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp 65.7 45.06 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.931 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.8 m -123.25 -28.27 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.89 HD22 ' NE2' ' A' ' 28' ' ' HIS . 85.3 mt -134.48 151.49 76.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.73 168.55 21.2 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.405 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.5 p -76.24 -30.33 57.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -106.23 23.37 14.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.89 ' NE2' HD22 ' A' ' 24' ' ' LEU . 4.6 t60 -48.55 169.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . 4.8 ptp180 -74.91 -45.97 39.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.512 HG22 ' HD2' ' A' ' 28' ' ' HIS . 26.7 m -48.61 -37.0 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.3 p -53.62 -47.44 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -53.35 126.04 19.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.12 -52.24 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.3 m -38.87 -40.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.409 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -53.58 161.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.095 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' VAL . 63.6 mt-30 -149.15 164.2 35.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.658 HG13 ' CD1' ' A' ' 11' ' ' TRP . 1.8 m -33.79 -48.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.98 -61.33 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -42.75 -60.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.435 ' O ' HG22 ' A' ' 43' ' ' THR . 46.8 tp -59.62 -29.73 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.91 -26.85 60.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' LEU . 26.5 mt-30 -74.3 -59.42 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.71 HG23 ' HG ' ' A' ' 44' ' ' LEU . 14.6 t -42.62 -24.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.71 ' HG ' HG23 ' A' ' 43' ' ' THR . 6.4 mt -104.81 -31.76 9.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 44' ' ' LEU . 12.8 ttt180 -36.46 -43.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -58.0 -50.44 73.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.15 26.35 7.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.465 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.1 t -101.72 -33.61 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.425 ' HB3' HD23 ' A' ' 44' ' ' LEU . 22.8 tp -81.85 -45.36 15.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -40.89 -57.99 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.628 ' SG ' HG21 ' A' ' 67' ' ' ILE . 68.9 m -50.22 -43.09 52.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -56.02 -46.36 78.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.0 tp -41.18 -64.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.561 HD12 HD11 ' A' ' 62' ' ' ILE . 46.7 mt -55.6 -45.85 77.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -56.79 -29.31 62.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -75.95 -44.82 38.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.573 ' HB3' HG22 ' A' ' 127' ' ' ILE . 22.9 mt -67.74 -56.41 9.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.732 ' HB2' HG21 ' A' ' 127' ' ' ILE . 12.6 ttt-85 -114.24 158.99 20.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.08 143.91 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 62.24 34.87 15.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.9 m -78.82 -42.4 27.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.561 HD11 HD12 ' A' ' 54' ' ' LEU . 58.8 mt -151.73 128.1 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -78.06 108.22 11.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.416 HD23 HD11 ' A' ' 67' ' ' ILE . 49.9 mt -45.34 -37.81 5.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -61.49 -38.18 86.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -64.52 -26.89 68.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.628 HG21 ' SG ' ' A' ' 51' ' ' CYS . 22.8 pt -100.65 137.69 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 11.3 tt0 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -65.06 -44.3 89.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.2 mt -67.18 -57.84 5.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.9 m -49.42 -59.72 3.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.4 mt -46.71 -47.37 20.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -60.16 4.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -38.48 -61.61 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 71.2 mt -41.05 -53.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.115 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -51.86 -51.59 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.8 m -42.5 -45.07 4.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 86' ' ' LEU . 2.4 t80 -64.22 -57.34 9.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.427 HD21 ' CE1' ' A' ' 101' ' ' PHE . 18.2 mt -50.3 -29.93 10.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.57 HG22 ' HG3' ' A' ' 91' ' ' GLU . 24.7 m -70.14 -48.27 58.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.09 -36.35 74.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.66 -16.6 27.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.3 t -113.84 -27.81 7.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.57 ' HG3' HG22 ' A' ' 87' ' ' THR . 20.0 mm-40 -90.71 -52.87 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.5 m -72.08 -50.52 27.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.459 ' CE2' HD11 ' A' ' 122' ' ' LEU . 15.8 m-85 -85.94 -65.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 119.61 37.39 0.78 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 14.4 mtm -95.01 159.14 15.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -69.46 -178.26 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.691 ' HD2' HD12 ' A' ' 100' ' ' LEU . 17.3 tptm -110.19 -27.39 9.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.0 t -58.77 -23.81 60.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -92.19 -27.43 17.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.691 HD12 ' HD2' ' A' ' 97' ' ' LYS . 97.2 mt -63.65 169.67 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.54 ' CD2' HG22 ' A' ' 115' ' ' VAL . 39.4 p90 -111.05 154.5 24.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -61.58 175.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.27 -33.71 14.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.433 ' O ' ' C ' ' A' ' 105' ' ' ASP . 27.7 t80 -75.71 -54.16 7.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 104' ' ' PHE . 30.1 p-10 -34.37 -41.64 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.482 HD13 HG21 ' A' ' 115' ' ' VAL . 11.2 tp -79.1 -44.55 21.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 29.1 t80 -55.02 -52.78 62.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.88 16.78 8.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 109' ' ' VAL . 43.6 t 41.87 36.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -59.18 -54.56 45.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -143.21 114.48 7.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.498 ' CD2' HD11 ' A' ' 116' ' ' ILE . 24.5 t80 -84.41 -40.39 17.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.88 -34.06 2.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.458 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -69.09 -38.6 79.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.54 HG22 ' CD2' ' A' ' 101' ' ' PHE . 40.3 t -69.75 -40.44 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.498 HD11 ' CD2' ' A' ' 112' ' ' PHE . 57.6 mt -58.11 -52.57 56.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -47.36 -45.4 24.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.4 m -48.08 -48.3 33.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.28 -43.62 92.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.4 t -51.35 -42.59 61.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -75.27 -30.16 60.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.501 ' O ' HG23 ' A' ' 125' ' ' THR . 24.8 tp -69.14 -54.12 16.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.619 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 28.9 p -43.06 -44.75 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -46.34 -41.3 13.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 122' ' ' LEU . 62.4 p -40.54 150.63 0.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.583 0.706 . . . . 0.0 111.173 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.96 22.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.732 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -86.3 -40.05 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -69.45 -43.94 72.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 43.7 mt -70.34 -36.43 74.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.48 -47.98 5.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.3 p -56.47 -36.17 68.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 98.96 23.3 11.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.437 HG23 ' HB3' ' A' ' 20' ' ' HIS . 56.0 mt -84.45 137.69 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 111.156 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -47.91 115.84 4.24 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.623 0.725 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.347 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.769 0.237 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.679 ' CD1' HG13 ' A' ' 37' ' ' VAL . 37.7 p-90 -63.16 -37.58 87.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.597 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 4.8 mmpt? -34.76 -68.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -55.79 -45.55 78.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.3 t -45.74 -49.05 15.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -41.3 -50.47 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -52.04 -62.22 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.531 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 30.7 t90 -45.06 -44.67 10.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.847 ' O ' HG22 ' A' ' 23' ' ' VAL . 64.6 mt -56.59 -54.35 46.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.3 mt -52.91 -44.76 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -69.57 -33.12 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.531 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 74.7 m -68.9 -3.46 12.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt 70.69 48.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.847 HG22 ' O ' ' A' ' 18' ' ' LEU . 30.6 m -124.46 -29.51 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.847 HD22 ' CE1' ' A' ' 28' ' ' HIS . 51.2 mt -133.32 151.66 77.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.494 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.4 Cg_endo -69.75 171.45 14.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.691 2.26 . . . . 0.0 112.322 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.9 p -79.91 -24.04 41.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -110.29 23.35 14.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.847 ' CE1' HD22 ' A' ' 24' ' ' LEU . 1.9 t-80 -52.61 173.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -80.53 -41.58 23.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.4 m -50.87 -38.2 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.4 p -56.95 -43.88 82.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -50.93 134.13 26.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -53.63 -45.81 70.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.0 p -50.31 -24.82 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.52 157.35 36.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' VAL . 33.2 mt-30 -141.46 165.4 27.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.679 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.2 m -34.9 -45.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.536 ' CE2' ' OE1' ' A' ' 42' ' ' GLN . 11.4 t80 -48.39 -62.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -39.69 -55.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' A' ' 18' ' ' LEU . 64.3 tp -66.34 -23.85 66.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -81.9 -23.55 36.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.536 ' OE1' ' CE2' ' A' ' 38' ' ' PHE . 22.7 mt-30 -75.97 -49.67 17.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.403 HG23 ' HG ' ' A' ' 44' ' ' LEU . 5.3 t -54.83 -25.15 26.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' ARG . 14.4 mt -103.64 -28.41 11.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' LEU . 30.2 ttt180 -37.68 -41.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -63.96 -54.93 26.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.93 25.72 5.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.6 t -99.7 -37.49 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.119 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.9 tp -78.62 -46.38 19.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.8 mt -41.76 -46.72 3.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.413 ' HA ' HD12 ' A' ' 62' ' ' ILE . 52.7 m -61.79 -41.06 97.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 53' ' ' LEU . 25.1 mt-30 -56.68 -49.29 75.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' GLN . 35.7 tp -37.43 -61.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.601 HD12 HD11 ' A' ' 62' ' ' ILE . 78.7 mt -56.3 -40.27 74.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.07 -24.19 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -79.26 -44.78 21.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.449 ' HB3' HG22 ' A' ' 127' ' ' ILE . 21.4 mt -72.56 -54.51 8.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.786 ' HB2' HG21 ' A' ' 127' ' ' ILE . 1.7 ttp180 -111.47 162.48 15.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.65 143.6 29.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 63.56 25.53 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -70.1 -40.92 74.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.601 HD11 HD12 ' A' ' 54' ' ' LEU . 52.7 mt -152.42 127.43 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 66' ' ' GLU . 52.0 t-20 -80.46 109.94 15.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.0 mt -44.17 -33.51 1.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -66.23 -37.04 84.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' ASN . 8.3 mt-10 -66.15 -17.13 64.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.48 ' CG2' HG21 ' A' ' 84' ' ' THR . 24.2 pt -113.35 128.75 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.944 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.585 ' O ' HD12 ' A' ' 79' ' ' LEU . 55.7 tt0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.856 0.36 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -77.98 -41.61 35.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.18 -64.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 68.9 m -43.65 -61.03 1.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' ' 75' ' ' GLN . 16.5 mt -43.3 -61.76 1.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -48.79 -58.4 4.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -38.51 -62.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.564 HG21 ' HA ' ' A' ' 103' ' ' ALA . 55.9 mt -39.81 -62.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.464 ' HA ' HD12 ' A' ' 86' ' ' LEU . 44.1 mtt180 -37.75 -49.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.48 HG21 ' CG2' ' A' ' 67' ' ' ILE . 51.8 m -45.9 -61.74 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -49.11 -50.68 36.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 83' ' ' ARG . 19.5 mt -56.8 -34.42 67.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.1 m -69.4 -46.96 65.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.48 -35.85 74.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.9 m -60.75 -14.72 23.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 45.3 t -113.44 -22.17 10.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -94.85 -55.07 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.468 ' CG2' ' HD3' ' A' ' 58' ' ' ARG . 87.8 m -70.8 -50.94 30.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.514 ' CE2' HD11 ' A' ' 122' ' ' LEU . 6.2 m-85 -92.27 -68.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.93 61.47 0.43 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 59.3 mtp -102.71 166.74 10.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -73.87 119.11 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -48.06 -35.22 10.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.6 t -64.19 -31.5 72.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -69.68 -38.16 76.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.43 177.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.534 ' CE2' HG13 ' A' ' 115' ' ' VAL . 51.6 p90 -112.32 166.93 10.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -80.73 132.59 35.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.564 ' HA ' HG21 ' A' ' 82' ' ' ILE . . . -46.58 -38.16 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' ASP . 17.8 t80 -68.01 -60.79 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 104' ' ' PHE . 7.5 m-20 -34.47 -42.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.514 HD23 HG12 ' A' ' 82' ' ' ILE . 13.4 tp -74.33 -47.36 34.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' PHE . 9.0 t80 -59.18 -58.5 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -78.28 7.55 6.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 109' ' ' VAL . 20.2 t 40.81 47.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.449 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 12.4 mtp-105 -73.03 -58.88 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -131.21 95.24 3.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -68.14 -41.15 82.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.62 -36.1 1.55 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -64.87 -38.66 91.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.534 HG13 ' CE2' ' A' ' 101' ' ' PHE . 44.2 t -71.17 -36.33 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 50.8 mt -62.49 -53.44 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -51.23 -51.69 51.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 55.9 m -38.09 -48.52 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.5 mt -63.87 -47.44 80.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.0 t -45.37 -38.79 6.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 122' ' ' LEU . 89.1 mtt180 -79.77 -57.33 3.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.573 ' O ' HG23 ' A' ' 125' ' ' THR . 14.4 tp -36.02 -45.08 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 78.7 p -44.48 -47.29 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.416 ' C ' ' HD3' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -42.23 -36.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 122' ' ' LEU . 70.1 p -47.28 146.69 3.03 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.616 0.722 . . . . 0.0 111.147 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 0.66 5.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.786 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.2 mp -95.48 -38.89 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -72.04 -48.21 46.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.3 mt -65.54 -35.62 81.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.3 -51.77 6.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 29.5 p -53.87 -37.67 63.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 101.66 19.31 15.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 71.3 mt -76.67 135.74 26.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 0.0 111.15 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -44.06 121.73 3.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.737 0.224 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.579 ' CZ2' ' HE3' ' A' ' 12' ' ' LYS . 12.5 p-90 -76.87 -48.78 17.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.579 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 2.4 mmpt? -39.01 -58.07 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.495 ' OE1' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -65.72 -34.44 78.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.495 ' N ' ' OE1' ' A' ' 13' ' ' GLN . 36.6 t -53.64 -44.25 69.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.79 -48.18 10.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -49.21 -58.26 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.505 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 22.0 t90 -48.83 -46.33 41.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.763 ' O ' HG22 ' A' ' 23' ' ' VAL . 85.7 mt -55.57 -52.86 62.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.1 mt -52.73 -42.97 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.08 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.536 ' HB3' HG23 ' A' ' 133' ' ' ILE . 10.5 m-70 -71.24 -36.81 71.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.505 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 88.9 m -66.75 -4.35 8.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt 70.38 49.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 18' ' ' LEU . 21.6 m -125.47 -27.35 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.089 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.994 HD22 ' CE1' ' A' ' 28' ' ' HIS . 92.0 mt -132.28 147.74 66.92 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 0.0 110.942 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.48 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.9 Cg_endo -69.75 161.89 44.19 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.741 2.294 . . . . 0.0 112.35 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.8 p -70.06 -31.23 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -105.23 24.96 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.994 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.0 t-160 -51.58 173.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -83.08 -39.5 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.47 -33.08 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.8 p -59.47 -46.43 88.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -52.37 134.17 34.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.86 -50.33 26.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 m -40.34 -35.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.89 166.01 2.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 37' ' ' VAL . 81.3 mt-30 -152.09 165.26 35.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 36' ' ' GLN . 1.9 m -33.87 -44.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.54 ' CZ ' ' CD ' ' A' ' 42' ' ' GLN . 11.6 t80 -52.35 -62.29 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 38' ' ' PHE . 3.7 t0 -36.77 -59.15 0.7 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.59 HD11 ' CD1' ' A' ' 18' ' ' LEU . 43.3 tp -61.76 -32.42 72.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.603 ' HB1' HG13 ' A' ' 109' ' ' VAL . . . -74.33 -22.85 59.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.052 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.54 ' CD ' ' CZ ' ' A' ' 38' ' ' PHE . 24.7 mt-30 -78.25 -57.25 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.2 t -47.14 -23.02 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.51 ' CD2' HD23 ' A' ' 49' ' ' LEU . 8.5 mt -103.89 -30.66 10.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' LEU . 29.3 ttt180 -37.45 -37.42 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.52 -47.79 80.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 98.85 23.05 12.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.8 t -101.63 -32.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 111.095 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 44' ' ' LEU . 61.2 tp -81.27 -54.03 5.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.8 mt -35.22 -52.93 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.414 ' HA ' HD12 ' A' ' 62' ' ' ILE . 57.0 m -55.08 -42.62 73.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 49' ' ' LEU . 31.0 mt-30 -53.7 -45.54 70.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.4 tp -43.26 -61.84 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.838 HD12 HD11 ' A' ' 62' ' ' ILE . 72.4 mt -54.44 -40.79 68.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 71.1 m-20 -63.97 -25.57 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -77.55 -47.99 18.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.24 -55.08 24.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.61 ' HB2' HG21 ' A' ' 127' ' ' ILE . 8.9 ttt85 -116.92 157.43 25.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.26 143.91 26.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 61.52 35.84 17.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.7 m -79.96 -44.2 20.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.838 HD11 HD12 ' A' ' 54' ' ' LEU . 52.9 mt -146.32 120.94 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -71.5 108.68 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.1 mt -47.68 -35.81 10.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -63.52 -34.16 77.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -68.15 -23.19 64.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.406 HG21 ' SG ' ' A' ' 51' ' ' CYS . 29.5 pt -105.47 134.15 47.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.809 0.337 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -51.58 -50.27 60.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.39 -56.28 6.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.2 m -44.51 -56.98 3.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.5 mt -52.62 -48.06 66.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -55.63 -56.33 21.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -42.93 -59.29 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.444 HG12 HD23 ' A' ' 106' ' ' LEU . 69.7 mt -41.83 -61.02 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -40.31 -54.63 2.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.4 m -39.08 -57.51 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.148 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -53.89 -58.69 6.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.645 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 16.7 mt -51.17 -31.38 19.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.3 m -70.31 -57.8 4.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -48.09 -46.34 33.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 3.5 m -43.6 -23.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 88' ' ' ALA . 42.5 t -105.98 -25.06 12.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 88' ' ' ALA . 4.7 mt-10 -89.69 -57.33 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.7 m -68.4 -49.1 62.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.582 ' CE1' HD22 ' A' ' 54' ' ' LEU . 28.0 m-85 -95.01 -67.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.77 57.55 0.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 74.2 mtp -98.63 -177.99 3.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.761 0.315 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -89.0 114.83 26.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -49.29 -38.58 27.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.2 t -54.62 -33.95 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -72.54 -37.6 68.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.8 mt -53.55 163.6 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.645 ' CZ ' HD21 ' A' ' 86' ' ' LEU . 43.1 p90 -93.83 165.38 12.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.08 141.91 43.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.89 -30.88 62.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 105' ' ' ASP . 9.4 t80 -79.75 -55.51 4.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 104' ' ' PHE . 0.9 OUTLIER -34.66 -43.66 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.444 HD23 HG12 ' A' ' 82' ' ' ILE . 16.3 tp -75.08 -45.82 38.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 104' ' ' PHE . 9.7 t80 -58.92 -57.77 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' VAL . 1.1 m-20 -87.72 15.1 7.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.603 HG13 ' HB1' ' A' ' 41' ' ' ALA . 5.6 t 35.32 50.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -78.33 -62.5 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 105' ' ' ASP . 1.1 m-20 -120.32 69.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.467 ' CD2' HD11 ' A' ' 116' ' ' ILE . 25.8 t80 -47.74 -33.82 7.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.69 -51.68 5.64 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -48.96 -34.52 13.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.532 HG22 ' CG ' ' A' ' 101' ' ' PHE . 17.0 t -75.15 -39.09 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 112' ' ' PHE . 55.1 mt -67.08 -49.57 72.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -57.36 -51.69 68.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 55.3 m -39.44 -51.73 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.493 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 31.5 mt -57.02 -45.37 83.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.2 t -45.08 -45.13 10.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 32.1 mtt-85 -72.82 -53.41 11.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.434 ' O ' HG23 ' A' ' 125' ' ' THR . 10.5 tp -38.75 -52.26 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.586 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 60.5 p -37.55 -42.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 125' ' ' THR . 12.7 mmm180 -46.99 -46.3 21.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 122' ' ' LEU . 80.3 p -35.68 147.28 0.17 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 111.155 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -1.22 8.09 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.61 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -97.08 -36.9 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -71.22 -40.78 70.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 132' ' ' GLY . 52.7 mt -73.87 -38.65 64.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.71 -46.88 3.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.2 p -60.63 -33.87 73.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 90.28 26.62 23.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.536 HG23 ' HB3' ' A' ' 20' ' ' HIS . 41.2 mt -83.43 142.98 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 133' ' ' ILE . 36.1 mtp85 -33.78 96.92 0.11 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.773 0.239 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.739 ' CD1' HG13 ' A' ' 37' ' ' VAL . 6.4 p-90 -88.59 -31.0 18.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -55.84 -47.32 77.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -73.83 -41.64 62.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.1 t -50.75 -39.88 53.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.432 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -48.05 -47.09 33.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -53.0 -62.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.536 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 24.2 t90 -38.84 -46.83 1.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.878 ' O ' HG22 ' A' ' 23' ' ' VAL . 22.8 mt -57.27 -52.02 67.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.58 HD11 HG22 ' A' ' 31' ' ' THR . 61.3 mt -54.6 -43.85 66.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -73.92 -28.09 61.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.536 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 50.5 m -73.19 2.37 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 66.02 45.87 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.878 HG22 ' O ' ' A' ' 18' ' ' LEU . 27.7 m -123.4 -28.27 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.81 HD22 ' NE2' ' A' ' 28' ' ' HIS . 88.0 mt -133.69 151.5 77.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.704 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.462 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.6 Cg_endo -69.7 157.25 61.15 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.367 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -66.52 -29.9 70.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -105.75 24.96 11.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.81 ' NE2' HD22 ' A' ' 24' ' ' LEU . 7.2 t60 -52.67 -179.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -86.4 -33.64 20.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.408 HG22 ' HD2' ' A' ' 28' ' ' HIS . 7.7 m -64.08 -16.58 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.58 HG22 HD11 ' A' ' 19' ' ' ILE . 74.1 p -79.14 -26.79 42.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -66.6 138.27 57.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -56.76 -29.39 62.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.3 m -66.57 -30.38 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.44 159.52 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.476 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . 72.8 mt-30 -148.56 166.73 27.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.739 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.3 m -33.96 -48.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.54 -59.42 4.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.2 -58.28 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.617 HD11 ' CD1' ' A' ' 18' ' ' LEU . 35.8 tp -67.57 -18.17 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.15 -27.58 28.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -75.12 -52.81 10.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.46 HG23 ' HG ' ' A' ' 44' ' ' LEU . 5.9 t -47.97 -25.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' HG ' HG23 ' A' ' 43' ' ' THR . 24.4 mt -102.53 -29.31 11.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -41.31 -36.53 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -62.56 -53.51 53.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.78 24.24 7.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -102.47 -35.76 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 111.142 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.8 tp -78.0 -55.64 5.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.6 mt -35.28 -58.74 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.3 m -47.85 -42.23 25.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' LEU . 25.9 mt-30 -57.14 -51.88 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' GLN . 47.7 tp -34.54 -61.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.428 HD12 HD11 ' A' ' 62' ' ' ILE . 33.2 mt -57.91 -40.64 80.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' GLN . 71.0 m-20 -62.88 -23.74 67.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -80.83 -49.03 11.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.642 ' HB3' HG22 ' A' ' 127' ' ' ILE . 20.7 mt -64.37 -52.66 57.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.44 ' HB2' HG21 ' A' ' 127' ' ' ILE . 19.6 ttt-85 -117.13 159.45 22.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.429 ' O ' ' NH1' ' A' ' 58' ' ' ARG . . . -93.79 147.09 23.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 61.74 26.01 15.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -69.84 -41.55 74.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.428 HD11 HD12 ' A' ' 54' ' ' LEU . 32.9 mt -152.34 138.48 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.401 ' C ' ' OD1' ' A' ' 63' ' ' ASN . 39.3 t-20 -90.65 108.06 19.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.592 HD23 HD11 ' A' ' 67' ' ' ILE . 84.5 mt -45.51 -42.88 11.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.475 ' N ' ' HE2' ' A' ' 65' ' ' LYS . 10.2 mmpt? -58.96 -33.16 70.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.65 -24.82 60.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 1.001 ' CG2' HG21 ' A' ' 84' ' ' THR . 15.2 pt -104.26 132.54 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.466 ' HG2' HD12 ' A' ' 79' ' ' LEU . 32.1 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.795 0.331 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -46.15 -43.28 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.2 mt -73.02 -47.66 43.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 85.1 m -56.95 -64.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.466 HD12 ' HG2' ' A' ' 75' ' ' GLN . 18.1 mt -45.46 -59.8 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -49.1 -57.83 5.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -39.62 -57.75 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.447 HG21 ' HA ' ' A' ' 103' ' ' ALA . 71.9 mt -46.28 -58.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -45.92 -50.92 14.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . 1.001 HG21 ' CG2' ' A' ' 67' ' ' ILE . 28.9 m -41.33 -44.35 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -65.12 -63.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.5 mt -45.56 -27.1 0.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.8 m -71.69 -52.79 16.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.67 -25.88 65.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 70.8 m -60.81 -27.79 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 13.7 t -105.82 -25.29 12.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -88.0 -61.86 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.8 m -64.1 -53.68 45.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -89.73 -66.99 0.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.97 72.89 0.91 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.4 ptp -120.6 171.07 8.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.764 0.316 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.8 mtt-85 -56.14 99.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -49.9 -37.68 32.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.9 t -57.31 -39.33 75.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 121' ' ' ARG . 72.8 mm-40 -62.28 -41.91 98.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.1 mt -43.25 162.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.457 ' CZ ' HG13 ' A' ' 115' ' ' VAL . 23.4 p90 -106.43 168.9 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.506 ' CD ' ' CG ' ' A' ' 105' ' ' ASP . 1.1 pm0 -78.86 -175.52 4.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.447 ' HA ' HG21 ' A' ' 82' ' ' ILE . . . -96.16 -38.58 10.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 105' ' ' ASP . 4.6 t80 -59.65 -59.89 4.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.506 ' CG ' ' CD ' ' A' ' 102' ' ' GLU . 6.5 m-20 -36.81 -38.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.742 HD13 HG21 ' A' ' 115' ' ' VAL . 29.1 tp -83.98 -47.68 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -54.88 -56.3 21.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -85.75 18.18 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 109' ' ' VAL . 4.5 t 38.3 31.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -59.56 -62.71 1.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -127.6 92.41 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -72.43 -39.2 68.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -44.09 -34.45 3.16 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.456 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -64.5 -37.33 87.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.742 HG21 HD13 ' A' ' 106' ' ' LEU . 23.8 t -70.37 -39.16 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 45.1 mt -61.97 -44.04 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -57.69 -54.81 42.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 121' ' ' ARG . 22.0 m -40.49 -51.17 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.5 mt -62.09 -38.04 87.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 t -50.28 -45.29 54.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.497 ' O ' ' CG ' ' A' ' 124' ' ' ARG . 9.9 ptt-85 -80.58 -36.74 32.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 125' ' ' THR . 42.7 tp -48.98 -46.5 43.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.438 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 15.5 p -52.61 -23.96 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 121' ' ' ARG . 1.0 OUTLIER -60.12 -28.01 67.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 122' ' ' LEU . 46.4 p -57.57 150.97 42.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.562 0.696 . . . . 0.0 111.156 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 130' ' ' ALA . 53.8 Cg_endo -69.72 1.06 4.75 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.642 HG22 ' HB3' ' A' ' 57' ' ' LEU . 5.2 mp -93.33 -42.04 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.438 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -70.19 -54.89 10.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 28.8 mt -57.68 -38.99 76.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 126' ' ' PRO . . . -45.16 -49.33 12.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.1 p -54.89 -36.11 64.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 97.5 21.06 20.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 54.3 mt -80.5 140.17 17.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 134' ' ' ARG . 4.5 ptp180 -44.19 103.55 0.33 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.147 0 C-N-CA 122.68 2.253 . . . . 0.0 112.283 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.776 0.24 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.536 ' CE2' ' HD2' ' A' ' 12' ' ' LYS . 13.8 p-90 -75.29 -41.53 56.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.536 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -33.39 -57.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -70.04 -44.03 70.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 15' ' ' ALA . 12.9 t -44.87 -52.38 8.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.608 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -34.84 -46.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.068 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' TRP . 14.8 mm100 -56.55 -68.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.537 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 25.7 t90 -35.8 -49.51 0.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.74 ' O ' HG22 ' A' ' 23' ' ' VAL . 19.0 mt -53.27 -55.98 20.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.2 mt -50.43 -43.25 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -71.82 -34.29 69.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.537 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 88.1 m -66.84 -4.37 9.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp 71.74 46.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 18' ' ' LEU . 26.8 m -123.31 -29.52 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.655 HD22 ' CD2' ' A' ' 28' ' ' HIS . 46.8 mt -132.72 147.82 67.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.556 0.693 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.422 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.74 165.1 32.1 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -74.72 -25.6 59.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -109.55 27.0 9.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.655 ' CD2' HD22 ' A' ' 24' ' ' LEU . 5.3 t60 -56.88 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.535 ' HD3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -90.66 -33.74 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 m -64.96 -19.31 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.4 p -71.35 -36.95 71.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.177 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -58.67 130.8 48.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -49.43 -44.06 45.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.1 m -50.17 -42.83 51.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.423 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -46.79 167.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 37' ' ' VAL . 80.0 mt-30 -150.03 164.47 35.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.454 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.0 m -34.78 -44.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.409 ' CD1' ' CG ' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -50.49 -58.22 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -41.54 -61.07 1.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.564 HD11 HD13 ' A' ' 18' ' ' LEU . 59.3 tp -63.4 -23.38 67.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.76 -25.72 37.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.409 ' CG ' ' CD1' ' A' ' 38' ' ' PHE . 29.1 mt-30 -77.38 -53.8 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.429 HG23 ' HG ' ' A' ' 44' ' ' LEU . 5.6 t -50.29 -23.16 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.429 ' HG ' HG23 ' A' ' 43' ' ' THR . 18.9 mt -102.83 -28.87 11.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -41.18 -34.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.74 -47.59 80.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.74 24.38 12.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.519 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.4 t -103.01 -36.13 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 111.14 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' HD23 ' A' ' 44' ' ' LEU . 33.4 tp -78.49 -49.5 13.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.9 mt -39.25 -58.02 1.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.633 ' SG ' HG21 ' A' ' 67' ' ' ILE . 88.2 m -49.01 -43.12 40.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' LEU . 19.8 mt-30 -56.52 -50.16 72.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' GLN . 61.2 tp -35.3 -63.09 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.704 HD12 HD11 ' A' ' 62' ' ' ILE . 61.6 mt -57.01 -44.91 83.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 81.4 m-20 -56.88 -27.79 61.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -76.37 -42.36 44.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.443 ' HB3' HG22 ' A' ' 127' ' ' ILE . 20.4 mt -68.89 -54.77 13.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -118.3 157.68 26.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.92 146.02 24.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.071 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.3 m170 62.49 25.9 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.411 ' HB3' HG21 ' A' ' 92' ' ' THR . 4.9 m -70.66 -43.9 68.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.704 HD11 HD12 ' A' ' 54' ' ' LEU . 51.2 mt -149.0 126.37 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -78.42 107.92 11.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.6 mt -44.27 -32.36 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -67.19 -38.43 85.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -61.99 -25.03 67.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.633 HG21 ' SG ' ' A' ' 51' ' ' CYS . 25.1 pt -105.19 141.07 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.908 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -74.22 -56.38 4.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.3 mt -54.66 -57.42 11.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.0 t -48.38 -59.73 3.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 75.0 mt -51.42 -54.77 23.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.12 -52.54 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -47.98 -57.73 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.5 mt -46.71 -58.28 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.2 mtp85 -42.45 -55.02 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.427 HG21 HG23 ' A' ' 67' ' ' ILE . 67.2 m -40.24 -48.87 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -58.61 -58.58 7.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 100' ' ' LEU . 14.8 mt -50.44 -28.85 8.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.676 HG22 ' HG3' ' A' ' 91' ' ' GLU . 18.6 m -70.85 -46.61 62.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.4 -32.69 70.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 98.6 m -52.23 -25.25 8.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 48.8 t -110.9 -31.36 7.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.676 ' HG3' HG22 ' A' ' 87' ' ' THR . 4.7 mm-40 -78.93 -53.22 7.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.411 HG21 ' HB3' ' A' ' 61' ' ' SER . 98.1 m -74.91 -53.39 9.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.749 ' CE2' HD11 ' A' ' 122' ' ' LEU . 6.9 m-85 -88.18 -70.74 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.47 44.29 0.72 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 20.4 ptm -96.6 174.47 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.316 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.468 ' CB ' ' OE2' ' A' ' 99' ' ' GLU . 56.5 mtm-85 -61.49 172.93 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -103.09 -34.64 8.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.1 m -59.07 -30.25 67.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.511 ' CD ' ' N ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -65.89 -46.17 79.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.561 ' HB3' HD22 ' A' ' 86' ' ' LEU . 20.6 mt -45.76 157.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.575 ' CE2' HG13 ' A' ' 115' ' ' VAL . 43.1 p90 -102.94 151.47 22.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.95 125.92 26.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.85 -48.19 51.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -56.05 -53.65 54.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.24 -32.74 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.66 HD13 HG21 ' A' ' 115' ' ' VAL . 14.6 tp -84.36 -49.33 8.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -50.87 -59.39 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -81.67 -6.29 58.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.401 ' O ' HG12 ' A' ' 109' ' ' VAL . 6.5 t 61.58 46.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -70.37 -64.43 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.3 97.6 4.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -69.48 -38.33 77.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.19 -36.29 2.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -64.58 -38.5 91.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.66 HG21 HD13 ' A' ' 106' ' ' LEU . 59.8 t -69.23 -37.22 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.0 mt -63.43 -49.97 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -50.99 -52.66 40.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 87.6 m -38.42 -48.09 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.418 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 17.5 mt -67.97 -42.9 80.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.0 m -47.63 -36.75 11.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 122' ' ' LEU . 46.5 mtt-85 -85.01 -56.65 3.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.749 HD11 ' CE2' ' A' ' 93' ' ' PHE . 21.8 tp -34.97 -44.84 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.613 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 59.6 p -45.49 -48.5 14.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 124' ' ' ARG . 15.4 mtp-105 -42.09 -37.82 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 122' ' ' LEU . 61.7 p -42.35 148.64 0.5 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.571 0.701 . . . . 0.0 111.135 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -0.46 6.93 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.365 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.443 HG22 ' HB3' ' A' ' 57' ' ' LEU . 5.4 mp -96.27 -41.93 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -66.84 -41.81 86.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 132' ' ' GLY . 49.7 mt -70.89 -44.62 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -37.79 -47.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.9 p -60.92 -37.42 82.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 95.99 25.94 12.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 70.4 mt -81.88 146.17 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 111.099 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -37.47 99.39 0.18 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.268 . . . . 0.0 112.387 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.76 0.234 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.637 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 4.9 p-90 -78.59 -29.47 46.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.461 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 21.2 mmtm -58.65 -51.85 68.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -69.19 -46.26 67.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.2 t -42.39 -47.8 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.556 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -39.92 -48.15 2.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -54.02 -61.0 2.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.539 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 16.8 t90 -45.26 -48.03 12.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.835 ' O ' HG22 ' A' ' 23' ' ' VAL . 17.9 mt -53.73 -51.37 63.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.9 mt -55.78 -41.2 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -74.5 -30.31 61.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.539 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 94.3 m -71.02 0.19 8.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt 67.46 48.51 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.835 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.5 m -127.57 -29.82 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.859 HD22 ' CE1' ' A' ' 28' ' ' HIS . 89.7 mt -131.36 147.35 65.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.585 0.707 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.454 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.75 156.52 63.16 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.733 2.289 . . . . 0.0 112.331 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.6 p -66.27 -28.73 68.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -106.01 21.86 16.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.859 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.3 t-160 -49.31 176.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -87.26 -21.63 25.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.0 m -72.26 -22.27 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.4 p -77.67 -15.96 58.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.5 m95 -67.84 129.45 39.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -52.53 -25.18 9.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 m -73.3 -35.49 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.46 166.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -144.52 160.53 40.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.637 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 3.3 m -38.29 -38.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.71 ' CE1' HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -60.45 -57.59 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -40.66 -58.59 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 18' ' ' LEU . 47.2 tp -66.0 -27.4 68.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.509 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . . . -77.46 -22.68 51.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -76.07 -51.65 11.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.409 ' CG2' ' HG ' ' A' ' 44' ' ' LEU . 2.7 t -53.87 -25.17 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.409 ' HG ' ' CG2' ' A' ' 43' ' ' THR . 10.3 mt -102.57 -18.59 15.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -55.55 -39.9 71.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.447 ' CB ' HG23 ' A' ' 48' ' ' VAL . 41.1 m-20 -80.94 14.52 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.77 30.1 0.9 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.447 HG23 ' CB ' ' A' ' 46' ' ' ASP . 65.6 t -80.69 -54.75 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.52 HD21 ' HB ' ' A' ' 23' ' ' VAL . 22.3 tp -77.84 -45.35 24.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 49' ' ' LEU . 11.1 mt -34.55 -58.92 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.3 m -56.13 -40.22 73.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 49' ' ' LEU . 24.8 mt-30 -60.33 -45.08 94.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.1 tp -42.74 -55.36 3.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.737 HD12 HD11 ' A' ' 62' ' ' ILE . 52.8 mt -62.01 -44.45 96.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 71.5 m-20 -59.19 -23.66 62.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -78.34 -49.21 14.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.604 ' HB3' HG22 ' A' ' 127' ' ' ILE . 20.3 mt -64.17 -53.35 50.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.632 ' HB2' HG21 ' A' ' 127' ' ' ILE . 13.6 ttt180 -118.27 157.71 26.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.07 148.95 21.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.0 m170 61.7 25.32 15.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -70.9 -47.02 61.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.737 HD11 HD12 ' A' ' 54' ' ' LEU . 68.9 mt -147.59 130.43 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -80.66 111.22 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.452 HD23 HD11 ' A' ' 67' ' ' ILE . 86.3 mt -49.18 -36.9 20.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 12.8 mptt -62.36 -38.52 89.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.86 -23.52 67.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.653 ' CG2' HG21 ' A' ' 84' ' ' THR . 27.0 pt -104.97 127.71 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.411 ' CB ' HD22 ' A' ' 77' ' ' LEU . 13.5 m120 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 46.8 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.889 0.376 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -54.94 -71.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.411 HD22 ' CB ' ' A' ' 68' ' ' ASN . 29.5 mt -44.48 -55.78 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 46.1 t -46.49 -68.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 28.6 mt -45.99 -43.51 14.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -56.56 20.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 82' ' ' ILE . 70.8 m-20 -49.42 -62.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 81' ' ' ASN . 90.5 mt -33.95 -55.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 86' ' ' LEU . 16.1 mtt-85 -57.71 -55.43 35.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.653 HG21 ' CG2' ' A' ' 67' ' ' ILE . 86.2 m -39.35 -32.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -82.6 -39.66 21.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 83' ' ' ARG . 73.1 mt -60.96 -36.54 79.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.564 ' CG2' ' N ' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -66.52 -47.36 73.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.117 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.564 ' N ' ' CG2' ' A' ' 87' ' ' THR . . . -57.66 -30.04 65.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 3.7 m -65.98 -15.8 63.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 21.9 t -120.31 -20.58 7.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -93.22 -45.29 7.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.3 m -82.44 -52.86 6.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.402 ' CE2' HD11 ' A' ' 122' ' ' LEU . 6.1 m-85 -87.24 -56.99 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 99.17 56.89 0.98 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 70.2 mtp -102.45 179.1 4.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -78.56 105.16 9.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -53.44 -19.95 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.0 t -69.09 -31.0 69.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -76.73 -35.65 57.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 73.7 mt -49.07 160.47 0.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.545 ' CE1' HG13 ' A' ' 115' ' ' VAL . 36.3 p90 -94.1 159.88 14.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.63 179.37 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.01 -25.51 15.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -84.81 -49.59 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -38.57 -43.32 0.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.9 tp -75.89 -51.48 12.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 17.3 t80 -51.26 -62.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -74.19 3.66 6.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.71 HG21 ' CE1' ' A' ' 38' ' ' PHE . 43.2 t 48.37 43.54 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -69.1 -60.92 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -133.61 97.3 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.539 ' CD2' HD11 ' A' ' 116' ' ' ILE . 41.3 t80 -69.26 -38.41 78.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.78 -45.55 13.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -56.3 -30.82 63.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.545 HG13 ' CE1' ' A' ' 101' ' ' PHE . 19.5 t -77.38 -38.78 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.539 HD11 ' CD2' ' A' ' 112' ' ' PHE . 45.2 mt -64.22 -36.4 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -56.62 -51.38 68.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 98.3 m -44.45 -50.49 9.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.6 mt -55.86 -55.99 25.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.8 t -41.13 -41.71 1.83 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -75.01 -50.29 17.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.402 HD11 ' CE2' ' A' ' 93' ' ' PHE . 18.3 tp -42.19 -49.73 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.406 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 54.5 p -40.7 -44.19 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.408 ' CG ' ' N ' ' A' ' 125' ' ' THR . 26.2 ptt180 -45.18 -42.41 9.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.408 ' N ' ' CG ' ' A' ' 124' ' ' ARG . 71.6 p -43.36 145.94 0.97 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 111.083 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 0.3 5.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.632 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.2 mp -95.07 -39.59 10.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.406 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -71.65 -48.57 46.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 42.0 mt -63.98 -36.04 82.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.82 -50.67 5.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 37.7 p -49.68 -33.34 15.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 104.98 11.83 29.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 53.1 mt -75.38 140.25 17.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 0.0 111.132 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 62.0 mmt-85 -65.5 137.68 96.61 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.6 p -66.84 99.49 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.889 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -110.57 144.38 39.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.65 130.9 43.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -123.74 162.02 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 0.0 110.853 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -135.62 122.9 21.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.79 176.87 15.04 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 ttt -94.07 134.23 36.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.724 0.297 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -87.38 152.43 52.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.656 0.741 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -9.94 27.31 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.339 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.527 ' CD1' HG13 ' A' ' 37' ' ' VAL . 6.9 p-90 -86.12 -23.96 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -67.92 -54.25 20.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -66.34 -32.81 74.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.7 t -57.12 -45.48 83.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -43.0 -48.91 6.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' TRP . 10.0 mm100 -52.22 -66.97 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.519 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 36.6 t90 -37.5 -47.7 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.915 ' O ' HG22 ' A' ' 23' ' ' VAL . 61.3 mt -54.89 -54.16 46.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.418 HD11 ' CG2' ' A' ' 31' ' ' THR . 77.9 mt -53.71 -47.14 62.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -66.5 -32.36 73.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.519 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 65.1 m -70.8 -0.7 9.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm 69.48 47.49 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.915 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.3 m -126.5 -28.83 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.925 HD22 ' CE1' ' A' ' 28' ' ' HIS . 63.9 mt -129.92 146.22 60.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.632 0.73 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 54.2 Cg_endo -69.76 147.84 63.79 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.402 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.8 p -61.53 -21.2 64.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -111.36 20.92 16.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.925 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.4 t-160 -51.38 169.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 11.7 ptm180 -82.36 -18.37 42.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.456 HG13 ' ND1' ' A' ' 28' ' ' HIS . 6.2 m -76.02 -16.8 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.418 ' CG2' HD11 ' A' ' 19' ' ' ILE . 39.8 p -82.19 -8.43 59.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.406 ' CD1' ' HA ' ' A' ' 29' ' ' ARG . 25.3 m95 -80.09 139.73 36.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -41.64 78.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.3 m -58.39 -22.24 53.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 32' ' ' TRP . . . -64.14 168.29 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' VAL . 81.0 mt-30 -154.55 163.79 39.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.527 HG13 ' CD1' ' A' ' 11' ' ' TRP . 5.3 m -36.01 -40.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -55.63 -62.43 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -41.0 -55.96 2.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.406 HD11 ' CD1' ' A' ' 18' ' ' LEU . 38.2 tp -66.3 -26.42 67.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.438 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . . . -80.67 -12.72 59.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -86.75 -50.29 6.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.44 HG23 ' HG ' ' A' ' 44' ' ' LEU . 8.3 t -51.23 -20.44 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 47' ' ' GLY . 4.5 mt -107.71 -24.4 11.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.976 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -41.12 -32.34 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -75.18 -38.03 61.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 89.54 16.71 56.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.479 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.8 t -88.67 -28.02 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.371 . . . . 0.0 111.095 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLN . 16.4 tp -83.97 -51.36 7.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.562 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . 11.6 mt -37.22 -54.41 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.709 ' HA ' HD12 ' A' ' 62' ' ' ILE . 97.1 m -52.28 -40.87 62.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' LEU . 30.4 mt-30 -60.71 -51.79 67.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.0 tp -38.9 -56.47 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.834 HD12 HD11 ' A' ' 62' ' ' ILE . 43.0 mt -60.82 -40.75 93.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 88.4 m-20 -63.62 -21.9 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -80.74 -47.11 14.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.16 -54.54 24.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.547 ' HB2' HG21 ' A' ' 127' ' ' ILE . 19.3 ttt180 -114.82 159.96 20.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.21 143.72 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 60.82 35.51 19.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 m -79.52 -44.14 21.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.834 HD11 HD12 ' A' ' 54' ' ' LEU . 36.9 mt -145.77 127.45 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -75.17 107.91 7.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.9 mt -48.17 -34.04 9.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -66.45 -35.34 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.98 -24.46 66.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.662 HG21 ' SG ' ' A' ' 51' ' ' CYS . 17.3 pt -105.35 142.36 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -77.97 90.17 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.5 mt -52.09 -33.06 37.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -116.43 81.27 10.85 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.608 0.718 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -22.63 31.71 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.663 2.242 . . . . 0.0 112.382 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 51.91 43.54 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 30.5 mmt 58.18 50.01 10.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.446 ' HB2' HD12 ' A' ' 77' ' ' LEU . 3.6 m -106.14 123.72 48.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -63.75 -51.4 65.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -57.77 -49.33 76.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.446 HD12 ' HB2' ' A' ' 74' ' ' SER . 84.3 mt -63.79 -50.42 69.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 37.0 m -51.87 -66.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.7 mt -42.98 -42.75 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 -52.3 65.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -51.29 -61.25 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.3 mt -40.38 -52.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.643 ' HA ' HD12 ' A' ' 86' ' ' LEU . 11.6 mtp85 -52.3 -47.26 66.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.6 m -49.04 -42.91 39.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 50' ' ' LEU . 2.5 t80 -65.86 -42.92 89.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 83' ' ' ARG . 19.2 mt -61.53 -35.0 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.774 HG22 ' HG3' ' A' ' 91' ' ' GLU . 11.2 m -71.31 -48.14 52.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.16 -22.73 61.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 6.2 m -70.17 -21.27 63.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 62.5 m -113.85 -18.35 11.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.774 ' HG3' HG22 ' A' ' 87' ' ' THR . 5.3 mm-40 -91.26 -48.82 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.6 m -80.57 -47.26 14.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.514 ' CE2' HD11 ' A' ' 122' ' ' LEU . 16.0 m-85 -93.7 -61.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.53 56.61 0.81 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 34.3 mtm -100.3 -179.02 3.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -66.66 154.24 41.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -95.88 -17.88 20.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.5 t -81.29 -37.67 28.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -60.93 -46.48 90.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.0 mt -38.43 157.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CE2' HG13 ' A' ' 115' ' ' VAL . 50.2 p90 -95.15 164.15 12.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -81.11 121.21 25.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.66 -47.05 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 14.4 t80 -58.91 -56.72 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 104' ' ' PHE . 40.4 m-20 -38.2 -41.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.469 HD13 HG21 ' A' ' 115' ' ' VAL . 38.3 tp -75.68 -53.17 8.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -50.44 -65.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.414 ' HB3' ' CG ' ' A' ' 110' ' ' ARG . 9.8 t0 -70.79 -6.23 36.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.0 t 57.96 37.71 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.414 ' CG ' ' HB3' ' A' ' 108' ' ' ASP . 19.2 mtp180 -69.23 -64.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -120.71 86.27 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 41' ' ' ALA . 45.7 t80 -68.11 -40.07 82.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.48 -30.74 4.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -67.69 -34.4 76.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.623 HG13 ' CE2' ' A' ' 101' ' ' PHE . 16.2 t -72.5 -40.34 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 14.1 mt -56.75 -44.69 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -60.35 -43.32 96.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 89.6 m -47.47 -34.55 7.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.0 mt -80.5 -33.81 36.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.547 ' OG ' ' CE2' ' A' ' 136' ' ' PHE . 9.7 m -54.15 -37.05 63.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 121' ' ' ARG . 4.5 mtm105 -77.17 -51.21 11.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 93' ' ' PHE . 9.6 tp -43.93 -48.55 8.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 4.5 p -42.07 -37.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.444 ' CG ' ' N ' ' A' ' 125' ' ' THR . 13.1 ptt180 -55.85 -44.48 78.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 124' ' ' ARG . 81.5 p -36.02 146.48 0.2 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.577 0.703 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.01 3.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.547 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -100.06 -32.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -79.5 -41.59 27.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 29.5 mt -69.5 -39.73 77.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.76 -48.72 5.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.3 p -56.6 -32.66 65.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.98 22.18 36.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 134' ' ' ARG . 46.0 mt -81.66 135.25 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 0.0 111.134 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 133' ' ' ILE . 16.4 mmm-85 -32.84 96.17 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.561 0.696 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 133' ' ' ILE . 54.1 Cg_endo -69.7 163.24 38.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.41 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.547 ' CE2' ' OG ' ' A' ' 120' ' ' SER . 11.7 m-85 -71.69 158.98 86.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.606 0.717 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 115.64 4.19 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 67.1 m -86.26 128.38 34.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 136.67 152.19 6.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -28.26 25.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 15.1 t -49.4 130.77 20.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 54.3 p -86.85 118.11 26.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -160.97 145.25 13.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -49.87 123.35 7.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.96 145.95 12.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -64.24 93.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -76.19 143.72 40.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.86 -169.99 43.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.53 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -99.67 93.82 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.732 0.301 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -45.09 152.56 0.58 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.665 0.745 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -3.36 11.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.365 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.643 ' CD1' HG13 ' A' ' 37' ' ' VAL . 8.3 p-90 -98.76 -28.36 13.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 23.5 mmtt -58.82 -52.83 64.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -68.12 -38.36 82.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.3 t -48.83 -49.02 41.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.476 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -40.03 -49.56 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -51.9 -65.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.454 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 18.6 t90 -41.79 -45.55 3.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.889 ' O ' HG22 ' A' ' 23' ' ' VAL . 39.6 mt -57.84 -50.55 72.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.27 -43.53 76.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.567 ' HB3' HG23 ' A' ' 133' ' ' ILE . 22.8 m-70 -72.34 -30.77 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.454 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 56.2 m -71.31 -1.05 11.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 67.79 49.33 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.889 HG22 ' O ' ' A' ' 18' ' ' LEU . 35.5 m -125.57 -29.36 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.037 HD22 ' CE1' ' A' ' 28' ' ' HIS . 63.8 mt -133.76 151.24 76.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.634 0.73 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.82 152.96 69.16 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.285 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.4 p -62.99 -29.16 70.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.66 24.08 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 1.037 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.8 t-160 -50.48 170.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.4 ptt-85 -78.35 -26.19 46.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.9 m -69.58 -25.04 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.8 p -68.42 -38.82 81.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -53.26 148.95 7.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -64.04 -47.91 78.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 t -50.34 -22.5 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.95 160.53 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -147.54 170.29 17.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.643 HG13 ' CD1' ' A' ' 11' ' ' TRP . 3.8 m -40.8 -51.4 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -45.95 -61.41 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -38.84 -59.67 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 18' ' ' LEU . 61.4 tp -63.69 -25.03 68.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -78.76 -23.73 45.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -79.84 -53.59 6.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.652 HG23 ' HG ' ' A' ' 44' ' ' LEU . 14.8 t -47.92 -24.23 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.142 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.652 ' HG ' HG23 ' A' ' 43' ' ' THR . 13.5 mt -104.56 -23.73 13.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -46.36 -28.59 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -66.99 -43.69 82.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.9 24.4 22.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.8 t -104.92 -35.12 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.43 ' HB3' HD23 ' A' ' 44' ' ' LEU . 22.7 tp -77.5 -48.75 16.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -39.06 -56.54 1.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.469 ' HA ' HD12 ' A' ' 62' ' ' ILE . 66.6 m -51.33 -43.81 61.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' LEU . 14.6 mt-30 -55.77 -53.62 54.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' GLN . 18.5 tp -36.31 -55.28 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.715 HD12 HD11 ' A' ' 62' ' ' ILE . 47.7 mt -58.59 -45.2 89.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -57.85 -32.4 67.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -69.02 -50.84 45.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.554 HD13 ' HB2' ' A' ' 128' ' ' ALA . 22.0 mt -65.83 -56.64 10.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.779 ' HB2' HG21 ' A' ' 127' ' ' ILE . 9.8 ttm-85 -109.45 160.26 16.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.83 143.88 26.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 58.77 26.62 14.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 m -66.13 -41.26 90.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.715 HD11 HD12 ' A' ' 54' ' ' LEU . 37.3 mt -148.57 137.04 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -83.62 105.68 14.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.0 mt -46.73 -31.95 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -69.17 -34.27 74.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.54 -21.94 66.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.7 pt -108.16 138.73 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -76.3 86.76 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.4 mt -46.47 -31.45 2.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 8.2 ttm105 -117.11 83.23 14.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.407 ' HA ' HD12 ' A' ' 77' ' ' LEU . 54.1 Cg_endo -69.76 -18.46 36.99 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.677 2.251 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 52.36 37.71 23.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.7 mmt 56.48 51.28 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -111.2 99.93 8.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.801 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.479 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 47.7 tt0 -38.03 -39.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -59.93 -51.14 70.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 71' ' ' PRO . 47.2 mt -71.58 -59.35 2.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.8 t -39.56 -51.07 2.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.2 -46.97 88.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.443 ' C ' ' CD ' ' A' ' 80' ' ' LYS . 2.9 tmtm? -58.0 -56.19 25.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' ILE . 23.5 m-20 -44.61 -64.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' ASN . 84.9 mt -37.74 -57.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -49.23 -43.07 42.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.8 m -51.71 -43.65 62.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -63.61 -62.1 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.768 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 14.0 mt -48.27 -35.34 11.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 88.5 m -62.14 -36.33 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.9 -33.26 68.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.4 m -59.22 -13.89 9.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 39.4 t -114.64 -26.84 7.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -90.2 -57.56 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.405 HG22 ' HD2' ' A' ' 58' ' ' ARG . 52.3 m -67.43 -55.98 11.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.553 ' CD2' HG21 ' A' ' 125' ' ' THR . 73.1 m-85 -87.49 -66.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 101.78 68.97 0.83 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.7 ptm -116.75 170.7 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -59.7 118.03 5.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -37.0 85.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -56.67 -25.18 53.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -78.75 -37.34 41.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.6 mt -52.27 160.6 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.768 ' CZ ' HD21 ' A' ' 86' ' ' LEU . 48.7 p90 -91.38 178.11 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 103' ' ' ALA . 16.1 mm-40 -100.54 120.66 40.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 102' ' ' GLU . . . -34.67 -43.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.081 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' ASP . 17.4 t80 -60.77 -60.29 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' PHE . 23.3 m-20 -36.79 -38.3 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.0 tp -75.14 -59.4 2.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.479 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 15.7 t80 -47.4 -60.34 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -74.32 -3.75 32.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 t 53.2 35.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -59.24 -66.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.11 95.99 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.527 ' CD2' HD11 ' A' ' 116' ' ' ILE . 46.2 t80 -67.97 -33.29 74.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.08 -32.09 27.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.492 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -67.35 -40.07 85.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.568 HG22 ' CG ' ' A' ' 101' ' ' PHE . 59.0 t -68.83 -41.29 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.527 HD11 ' CD2' ' A' ' 112' ' ' PHE . 40.9 mt -57.65 -49.01 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -51.03 -51.0 57.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 89.5 m -40.78 -48.46 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 27.7 mt -62.22 -45.22 94.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.517 ' HA ' ' CG ' ' A' ' 136' ' ' PHE . 38.8 t -45.51 -37.02 4.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -83.11 -53.76 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.724 ' O ' HG23 ' A' ' 125' ' ' THR . 22.6 tp -40.77 -42.02 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.507 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 88.8 p -49.81 -47.05 51.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -43.74 -33.23 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 122' ' ' LEU . 72.7 p -45.42 147.17 1.46 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.585 0.707 . . . . 0.0 111.144 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -2.64 10.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.779 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.2 mp -94.75 -36.61 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.554 ' HB2' HD13 ' A' ' 57' ' ' LEU . . . -74.33 -40.31 62.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 132' ' ' GLY . 47.0 mt -72.18 -40.42 67.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.46 -50.8 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 37.3 p -57.13 -33.1 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 91.08 23.68 29.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.567 HG23 ' HB3' ' A' ' 20' ' ' HIS . 59.4 mt -79.89 141.12 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 111.119 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 135' ' ' PRO . 34.3 mmm-85 -36.28 98.68 0.16 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.718 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 53.9 Cg_endo -69.77 145.51 57.32 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.517 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 16.5 m-85 -54.9 143.72 50.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.635 0.731 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 160.89 48.01 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.371 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.9 t -171.4 143.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -157.27 168.18 34.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.443 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 95.07 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 50.7 m -91.79 156.73 17.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 34.1 p -111.74 132.41 54.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.824 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -133.24 164.66 26.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -141.96 177.31 8.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.44 147.63 17.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 p -72.32 112.17 8.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.384 . . . . 0.0 110.864 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m 43.76 43.82 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.81 -127.58 5.0 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 tpp -109.48 142.92 39.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.716 0.294 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HB2' ' CD1' ' A' ' 11' ' ' TRP . 18.3 mt-10 -76.33 152.61 83.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.633 0.73 . . . . 0.0 110.934 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -3.32 11.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.25 . . . . 0.0 112.355 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.567 ' CZ2' ' HD2' ' A' ' 12' ' ' LYS . 6.1 p-90 -94.14 -42.4 9.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.567 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 20.1 mmmt -45.91 -43.96 14.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -80.67 -41.57 23.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.7 t -49.4 -39.55 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -48.13 -45.61 33.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -55.48 -59.8 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 26.5 t90 -42.75 -46.86 5.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.845 ' O ' HG22 ' A' ' 23' ' ' VAL . 17.1 mt -56.55 -54.66 43.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.1 mt -53.07 -42.81 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -73.45 -29.64 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 68.8 m -71.71 1.12 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp 67.22 46.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.845 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.7 m -123.62 -29.95 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.614 HD22 ' NE2' ' A' ' 28' ' ' HIS . 55.8 mt -132.93 151.13 77.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.706 . . . . 0.0 110.959 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.455 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.81 161.04 47.45 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.2 p -69.75 -30.14 67.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -106.54 26.61 9.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.614 ' NE2' HD22 ' A' ' 24' ' ' LEU . 8.5 t60 -53.14 -175.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 11.9 ptm180 -88.29 -33.95 17.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.7 m -63.46 -14.5 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.2 p -82.6 -30.81 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -57.05 130.09 44.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -47.32 -41.8 19.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.5 p -59.29 -37.65 78.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' ARG . . . -43.67 160.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.069 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' VAL . 69.5 mt-30 -146.75 160.31 42.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.526 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.6 m -34.52 -46.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.482 ' CE1' HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -50.77 -59.98 3.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -40.88 -57.93 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.436 HD11 ' CD1' ' A' ' 18' ' ' LEU . 27.3 tp -63.35 -27.03 69.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -76.19 -27.68 56.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -74.28 -56.79 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.592 HG23 ' HG ' ' A' ' 44' ' ' LEU . 14.7 t -45.15 -21.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.592 ' HG ' HG23 ' A' ' 43' ' ' THR . 30.5 mt -107.37 -27.52 10.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -44.74 -37.79 3.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.44 -45.73 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.23 25.21 14.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.603 HG13 HD23 ' A' ' 69' ' ' LEU . 97.6 t -105.21 -32.99 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.897 0.38 . . . . 0.0 111.142 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 50' ' ' LEU . 42.7 tp -82.94 -53.26 5.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.4 mt -34.26 -59.24 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.411 ' SG ' HG21 ' A' ' 67' ' ' ILE . 94.9 m -48.39 -44.57 34.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' LEU . 19.2 mt-30 -55.54 -47.7 75.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' GLN . 56.8 tp -34.87 -63.45 0.32 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.775 HD22 ' CE1' ' A' ' 93' ' ' PHE . 58.1 mt -57.38 -46.81 83.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -53.81 -25.23 18.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -81.6 -43.8 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.43 ' HB3' HG22 ' A' ' 127' ' ' ILE . 25.2 mt -69.6 -53.66 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.47 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 9.0 ttt180 -118.28 159.36 23.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.21 146.85 23.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.6 m170 62.64 28.58 16.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.8 m -75.12 -44.67 45.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.601 HD11 HD12 ' A' ' 54' ' ' LEU . 63.7 mt -148.9 122.69 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 66' ' ' GLU . 48.7 t-20 -75.3 107.33 7.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.4 mt -43.35 -32.97 0.91 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -68.09 -38.78 82.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 63' ' ' ASN . 13.7 mt-10 -62.89 -27.0 69.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.637 ' CG2' HG21 ' A' ' 84' ' ' THR . 21.5 pt -103.59 130.06 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -65.7 113.41 4.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.603 HD23 HG13 ' A' ' 48' ' ' VAL . 23.5 mt -86.07 153.89 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' A' ' 70' ' ' ARG . 4.5 mpt_? 55.15 54.98 10.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.588 0.709 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 70' ' ' ARG . 53.5 Cg_endo -69.73 -2.54 10.33 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.676 2.25 . . . . 0.0 112.326 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 71' ' ' PRO . 34.6 mt-30 34.44 43.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.9 mmt 62.28 53.08 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 75' ' ' GLN . 3.3 m -96.15 98.04 10.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 74' ' ' SER . 31.6 tt0 -34.68 -44.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -65.45 -58.57 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 78' ' ' CYS . 37.6 mt -63.76 -62.77 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.483 ' HG ' ' HD1' ' A' ' 107' ' ' PHE . 48.9 t -38.23 -61.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.0 mt -47.07 -56.45 6.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -58.75 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 82' ' ' ILE . 80.5 m-20 -41.74 -65.29 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 81' ' ' ASN . 71.7 mt -35.0 -53.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -54.94 -50.77 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.637 HG21 ' CG2' ' A' ' 67' ' ' ILE . 96.0 m -44.57 -38.63 4.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.429 ' CZ ' ' SG ' ' A' ' 89' ' ' CYS . 6.2 t80 -68.69 -60.2 2.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.542 HD22 ' HB3' ' A' ' 100' ' ' LEU . 19.9 mt -45.51 -28.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.481 HG22 ' HG3' ' A' ' 91' ' ' GLU . 17.5 m -69.8 -51.15 36.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.164 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -39.94 75.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.429 ' SG ' ' CZ ' ' A' ' 85' ' ' PHE . 56.2 m -52.31 -19.52 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 47.7 t -111.69 -27.91 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.481 ' HG3' HG22 ' A' ' 87' ' ' THR . 5.2 mm-40 -86.63 -54.89 4.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.47 ' CG2' ' HD3' ' A' ' 58' ' ' ARG . 67.9 m -68.15 -56.87 7.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.883 ' CE2' HD11 ' A' ' 122' ' ' LEU . 14.1 m-85 -88.94 -64.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.79 65.59 0.8 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.5 ptp -110.38 -175.56 2.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.788 0.328 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.43 ' CB ' ' HG2' ' A' ' 99' ' ' GLU . 15.7 mmt85 -65.06 100.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -54.93 -27.28 42.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -69.88 -29.82 67.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.451 ' HG3' ' NE ' ' A' ' 121' ' ' ARG . 15.7 mm-40 -70.47 -31.55 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.542 ' HB3' HD22 ' A' ' 86' ' ' LEU . 28.7 mt -52.68 160.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.619 ' CE1' HG13 ' A' ' 115' ' ' VAL . 10.0 p90 -94.19 178.8 5.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -93.81 161.66 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.98 68.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.622 ' CZ ' ' CG ' ' A' ' 108' ' ' ASP . 12.6 t80 -67.67 -47.89 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -37.28 -43.73 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.2 tp -81.22 -52.48 7.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.483 ' HD1' ' HG ' ' A' ' 78' ' ' CYS . 15.4 t80 -47.38 -58.61 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.622 ' CG ' ' CZ ' ' A' ' 104' ' ' PHE . 0.6 OUTLIER -81.98 16.11 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 109' ' ' VAL . 15.7 t 38.28 43.14 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.2 mtp85 -64.35 -63.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -134.26 99.2 4.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.544 ' CD2' HD11 ' A' ' 116' ' ' ILE . 30.0 t80 -71.26 -36.89 71.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.68 -36.17 6.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -66.15 -37.15 84.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.619 HG13 ' CE1' ' A' ' 101' ' ' PHE . 38.5 t -72.22 -38.32 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.544 HD11 ' CD2' ' A' ' 112' ' ' PHE . 57.4 mt -61.38 -47.67 92.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.426 ' C ' ' OE1' ' A' ' 117' ' ' GLU . 0.2 OUTLIER -54.2 -48.72 70.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 99.4 m -39.63 -49.69 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.67 -47.45 75.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.583 ' HA ' ' CD1' ' A' ' 136' ' ' PHE . 4.8 p -44.4 -38.04 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.451 ' NE ' ' HG3' ' A' ' 99' ' ' GLU . 25.7 mtp85 -77.48 -60.12 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.883 HD11 ' CE2' ' A' ' 93' ' ' PHE . 9.1 tp -38.97 -40.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 76.6 p -44.45 -45.11 8.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 125' ' ' THR . 11.3 ptt-85 -46.58 -36.42 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 122' ' ' LEU . 72.0 p -45.69 146.62 1.8 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 111.148 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 0.5 5.56 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.24 . . . . 0.0 112.341 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.43 HG22 ' HB3' ' A' ' 57' ' ' LEU . 5.2 mp -94.34 -44.98 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.75 77.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.093 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 33.0 mt -67.01 -38.14 85.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.04 -46.22 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 41.6 p -58.65 -34.41 71.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.5 26.45 17.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 134' ' ' ARG . 47.5 mt -85.17 139.65 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 135' ' ' PRO . 11.5 mmm180 -36.36 98.68 0.16 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.681 0.753 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 54.3 Cg_endo -69.71 140.86 43.92 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.583 ' CD1' ' HA ' ' A' ' 120' ' ' SER . 36.0 m-85 -49.05 156.49 0.94 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 138' ' ' SER . 53.6 Cg_endo -69.75 -1.69 8.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.351 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 137' ' ' PRO . 5.8 t -34.34 112.65 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -86.47 -173.77 49.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.433 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 95.01 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.1 m 64.27 42.25 5.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.3 m 54.4 42.01 31.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.52 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.0 t -53.32 98.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -50.37 -53.4 29.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.55 -132.45 6.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t -106.38 40.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.378 . . . . 0.0 110.859 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 p -135.42 156.89 48.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.92 173.68 27.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.9 ttm -99.35 103.68 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.731 0.301 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.482 ' HB2' ' CG ' ' A' ' 12' ' ' LYS . 12.1 mm-40 -47.4 161.45 0.32 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.668 0.747 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.457 ' HD2' ' CD ' ' A' ' 9' ' ' GLU . 53.8 Cg_endo -69.81 -47.11 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.648 2.232 . . . . 0.0 112.359 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.605 ' CD1' HG13 ' A' ' 37' ' ' VAL . 25.3 p-90 -60.25 -40.46 90.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.585 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 3.2 mmpt? -36.83 -63.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -64.3 -41.36 96.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.5 t -46.51 -49.48 18.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.36 -46.99 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -55.46 -55.21 34.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.542 ' CZ3' ' HB3' ' A' ' 119' ' ' LEU . 26.3 t90 -48.52 -46.09 38.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.906 ' O ' HG22 ' A' ' 23' ' ' VAL . 60.9 mt -56.97 -49.05 76.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 81.0 mt -57.47 -44.99 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.687 ' HB3' HG23 ' A' ' 133' ' ' ILE . 43.4 m-70 -69.93 -30.84 68.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.477 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 53.1 m -73.98 -0.2 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt 66.5 50.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 18' ' ' LEU . 35.6 m -127.6 -29.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.934 HD22 ' CE1' ' A' ' 28' ' ' HIS . 72.8 mt -129.12 147.3 64.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.677 0.751 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.441 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.79 155.36 66.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.709 2.272 . . . . 0.0 112.295 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.9 p -68.18 -18.75 64.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -113.09 17.31 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.934 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.3 t-160 -46.76 168.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -77.94 -43.8 28.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -53.18 -30.13 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.426 HG23 ' HB3' ' A' ' 28' ' ' HIS . 51.5 p -60.34 -31.71 70.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -63.63 136.22 57.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -53.27 -45.42 68.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -49.24 -44.3 43.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.05 160.35 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 37' ' ' VAL . 59.1 mt-30 -140.47 165.12 28.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.605 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.4 m -35.18 -47.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CZ ' ' CD ' ' A' ' 42' ' ' GLN . 11.0 t80 -46.03 -63.87 0.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' PHE . 9.4 t0 -37.23 -55.18 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.568 HD11 ' CD1' ' A' ' 18' ' ' LEU . 60.1 tp -65.21 -32.93 74.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -75.42 -14.25 60.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.598 ' CD ' ' CZ ' ' A' ' 38' ' ' PHE . 24.5 mt-30 -86.93 -49.51 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 t -56.06 -14.16 2.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.445 ' CD2' HD23 ' A' ' 49' ' ' LEU . 11.2 mt -113.1 -25.18 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.97 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -43.8 -36.13 2.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -65.3 -45.71 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.67 26.92 8.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.8 t -101.54 -38.5 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 0.0 111.145 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 52' ' ' GLN . 23.5 tp -76.1 -53.71 7.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' LEU . 9.5 mt -35.02 -56.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.661 ' SG ' HG21 ' A' ' 67' ' ' ILE . 59.8 m -50.0 -42.54 49.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 49' ' ' LEU . 30.1 mt-30 -56.38 -50.68 70.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.3 tp -39.72 -60.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.719 HD12 HD11 ' A' ' 62' ' ' ILE . 51.8 mt -57.73 -40.31 79.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -64.57 -23.53 67.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -80.18 -43.32 21.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.9 mt -70.5 -53.78 14.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.605 ' HB2' HG21 ' A' ' 127' ' ' ILE . 27.4 ttt-85 -116.61 155.63 28.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.55 146.83 23.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.057 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 60.86 30.9 19.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 m -76.53 -42.62 42.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.719 HD11 HD12 ' A' ' 54' ' ' LEU . 26.1 mt -149.88 141.34 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -90.95 110.71 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.462 HD23 HD11 ' A' ' 67' ' ' ILE . 54.6 mt -49.04 -37.31 20.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -64.43 -35.99 82.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -68.51 -22.05 64.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.661 HG21 ' SG ' ' A' ' 51' ' ' CYS . 23.9 pt -105.84 137.14 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -66.88 104.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.6 mt -68.96 -44.89 72.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.3 ptt-85 -110.31 81.57 2.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.738 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -43.27 2.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.643 2.228 . . . . 0.0 112.394 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 70.27 35.02 2.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.7 mmt 68.1 52.19 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.759 ' OG ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -106.25 123.06 47.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -61.74 -66.68 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -43.06 -44.19 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.759 HD12 ' OG ' ' A' ' 74' ' ' SER . 94.1 mt -71.72 -70.0 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 77' ' ' LEU . 82.9 m -34.38 -52.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.7 mt -59.25 -41.89 89.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -60.31 -56.92 15.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 84' ' ' THR . 39.9 m-20 -43.8 -63.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.633 ' CD1' HD23 ' A' ' 106' ' ' LEU . 84.5 mt -35.82 -55.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.802 ' HA ' HD12 ' A' ' 86' ' ' LEU . 65.3 mtt180 -51.75 -43.61 63.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 81' ' ' ASN . 58.1 m -52.67 -42.25 64.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -69.42 -42.16 75.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.802 HD12 ' HA ' ' A' ' 83' ' ' ARG . 10.1 mt -61.25 -29.78 70.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.706 HG22 ' HG3' ' A' ' 91' ' ' GLU . 25.1 m -73.64 -43.57 59.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.85 -41.1 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 14.6 m -56.28 -22.7 31.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.561 ' SG ' HD11 ' A' ' 100' ' ' LEU . 84.4 m -107.04 -19.03 13.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.706 ' HG3' HG22 ' A' ' 87' ' ' THR . 5.2 mm-40 -95.03 -58.13 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.472 ' CG2' ' HD3' ' A' ' 58' ' ' ARG . 87.9 m -69.08 -49.89 53.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.706 ' CE2' HD11 ' A' ' 122' ' ' LEU . 24.7 m-85 -90.92 -64.32 1.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 109.75 53.28 0.59 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.6 mtp -93.29 168.47 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.7 mmt-85 -78.36 124.24 27.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -68.46 -14.35 62.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.3 t -76.75 -8.51 57.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -108.93 -29.75 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.561 HD11 ' SG ' ' A' ' 90' ' ' CYS . 86.9 mt -54.75 160.59 1.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.74 ' CE2' HG13 ' A' ' 115' ' ' VAL . 48.4 p90 -92.37 165.11 13.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -88.19 136.24 33.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.502 ' HA ' HG21 ' A' ' 82' ' ' ILE . . . -43.14 -48.05 6.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' ASP . 12.2 t80 -63.12 -55.39 25.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 104' ' ' PHE . 3.0 t70 -37.32 -32.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.817 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.633 HD23 ' CD1' ' A' ' 82' ' ' ILE . 8.4 tp -89.91 -47.53 7.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -50.92 -65.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.05 -3.58 27.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.1 t 58.52 47.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -70.36 -73.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -117.0 94.53 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -68.47 -34.63 76.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.25 -32.17 28.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -68.98 -36.83 78.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.74 HG13 ' CE2' ' A' ' 101' ' ' PHE . 21.7 t -73.55 -34.11 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 29.6 mt -65.57 -52.15 54.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 120' ' ' SER . 7.2 tp10 -50.0 -47.55 52.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.7 m -42.51 -45.51 4.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.542 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 14.3 mt -69.64 -29.51 67.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.519 ' HA ' ' CG ' ' A' ' 136' ' ' PHE . 38.8 m -61.17 -31.59 71.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -87.13 -44.77 11.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.706 HD11 ' CE2' ' A' ' 93' ' ' PHE . 7.7 tp -46.57 -55.38 7.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.561 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 76.5 p -39.72 -43.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -46.61 -43.62 17.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 122' ' ' LEU . 69.1 p -39.54 149.51 0.26 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.182 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -7.25 20.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.605 HG21 ' HB2' ' A' ' 58' ' ' ARG . 4.5 mp -88.51 -35.15 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -76.73 -43.93 35.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.03 -35.32 78.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.57 -46.85 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 47.4 p -62.16 -37.91 87.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.77 23.58 17.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.687 HG23 ' HB3' ' A' ' 20' ' ' HIS . 42.2 mt -79.82 138.13 20.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 111.161 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 133' ' ' ILE . 22.2 mmt180 -32.78 96.07 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.635 0.731 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.9 Cg_endo -69.74 154.71 67.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.519 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 21.0 m-85 -62.27 156.63 59.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.663 0.744 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -11.84 31.71 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.358 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 61.3 p -71.87 101.68 2.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -76.92 148.57 35.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 129.89 18.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.32 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 142' ' ' SER . 24.5 m -60.85 141.12 57.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 141' ' ' SER . 2.9 m -37.5 -54.73 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 m -75.96 134.92 40.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.844 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -131.44 -44.2 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.54 167.56 4.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.459 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p -129.57 152.83 48.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 0.0 110.85 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 t -104.37 102.63 12.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 125.54 144.46 6.24 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 7' ' ' GLY . 33.9 tpp -37.47 126.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -54.88 149.02 24.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.638 0.732 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -18.86 36.45 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.33 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.597 ' CD1' HG13 ' A' ' 37' ' ' VAL . 15.9 p-90 -92.77 -43.99 8.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 22.8 mmtt -41.46 -43.21 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -81.6 -40.81 22.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.4 t -50.99 -39.58 55.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.91 -42.3 26.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -58.97 -61.77 2.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.49 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 12.2 t90 -42.26 -49.59 5.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.844 ' O ' HG22 ' A' ' 23' ' ' VAL . 64.8 mt -51.79 -54.37 29.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 77.0 mt -53.29 -43.69 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -73.11 -28.34 62.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.49 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 68.5 m -72.71 2.02 7.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.822 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt 66.2 46.62 2.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.844 HG22 ' O ' ' A' ' 18' ' ' LEU . 33.4 m -124.84 -29.32 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.803 HD22 ' NE2' ' A' ' 28' ' ' HIS . 81.6 mt -132.14 151.55 78.6 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.614 0.721 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.437 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 54.0 Cg_endo -69.71 167.47 24.29 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.2 p -74.72 -30.34 61.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -106.16 24.92 11.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.803 ' NE2' HD22 ' A' ' 24' ' ' LEU . 5.8 t60 -51.25 -177.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 30' ' ' VAL . 9.2 ptp85 -88.15 -39.23 14.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.473 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 4.3 m -57.15 -20.45 12.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.9 p -74.97 -30.18 61.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -60.0 143.37 51.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.75 -34.79 77.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 t -62.68 -33.02 74.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.4 163.63 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 37' ' ' VAL . 80.0 mt-30 -148.84 161.01 42.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.597 HG13 ' CD1' ' A' ' 11' ' ' TRP . 5.0 m -33.95 -38.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -60.79 -57.23 13.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.47 -57.83 1.71 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.768 HD11 ' CD1' ' A' ' 18' ' ' LEU . 35.8 tp -67.04 -26.16 66.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.38 -23.14 50.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -77.53 -56.14 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.1 t -46.58 -23.95 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' GLY . 26.8 mt -102.09 -33.21 9.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' LEU . 13.3 ttt180 -37.9 -42.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.04 -45.1 83.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 94.32 31.36 8.02 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.585 HG13 HD23 ' A' ' 69' ' ' LEU . 60.6 t -107.56 -35.96 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 111.156 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.5 tp -78.95 -47.98 15.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.6 mt -37.78 -58.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.557 ' SG ' HG21 ' A' ' 67' ' ' ILE . 62.9 m -49.49 -42.64 44.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' LEU . 24.5 mt-30 -56.65 -52.0 66.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' GLN . 52.4 tp -34.33 -66.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.633 HD12 HD11 ' A' ' 62' ' ' ILE . 43.0 mt -53.13 -41.51 65.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -61.76 -27.85 69.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -76.42 -43.2 41.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.425 ' HB3' HG22 ' A' ' 127' ' ' ILE . 25.8 mt -70.66 -54.97 9.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.586 ' HB2' HG21 ' A' ' 127' ' ' ILE . 47.1 ttt-85 -116.76 156.95 26.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.47 146.72 23.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 62.37 29.35 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 m -75.59 -43.91 45.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.633 HD11 HD12 ' A' ' 54' ' ' LEU . 59.5 mt -148.99 121.3 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.156 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.478 ' HB3' ' CG ' ' A' ' 66' ' ' GLU . 44.1 t-20 -72.86 109.8 6.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 74.2 mt -47.58 -37.37 12.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -63.81 -32.17 73.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.478 ' CG ' ' HB3' ' A' ' 63' ' ' ASN . 11.2 mm-40 -68.52 -25.18 64.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.557 HG21 ' SG ' ' A' ' 51' ' ' CYS . 25.1 pt -102.86 140.69 20.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -77.67 103.08 7.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.585 HD23 HG13 ' A' ' 48' ' ' VAL . 23.4 mt -78.41 141.29 38.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.444 ' N ' ' CD ' ' A' ' 71' ' ' PRO . 55.8 ttm-85 68.42 54.54 0.6 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.719 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.471 ' HA ' HD12 ' A' ' 77' ' ' LEU . 53.1 Cg_endo -69.8 -3.86 12.89 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.659 2.239 . . . . 0.0 112.313 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 38.99 40.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 21.3 mmt 65.16 52.66 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 75' ' ' GLN . 2.8 m -99.29 96.87 8.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 25.4 tt0 -34.66 -47.09 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.55 -55.73 31.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 71' ' ' PRO . 48.5 mt -65.2 -60.16 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 82.2 m -40.08 -62.01 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.1 mt -48.43 -51.56 26.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -60.62 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' THR . 70.8 m-20 -44.07 -64.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 81' ' ' ASN . 85.3 mt -34.49 -54.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -51.96 -44.85 64.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' ASN . 93.3 m -50.58 -44.43 56.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.09 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.91 -60.53 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.9 mt -47.29 -29.81 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.447 HG22 ' HG3' ' A' ' 91' ' ' GLU . 32.3 m -65.48 -57.07 9.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -53.07 -39.39 63.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.2 -19.26 2.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 69.2 m -113.09 -30.32 7.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.447 ' HG3' HG22 ' A' ' 87' ' ' THR . 8.6 mm-40 -89.67 -53.49 4.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 88' ' ' ALA . 63.6 m -68.26 -55.37 12.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -92.7 -62.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.58 62.26 0.69 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.401 ' SD ' ' OE2' ' A' ' 99' ' ' GLU . 25.1 mtm -107.84 160.27 15.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -57.55 96.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 19.7 ttmt -36.57 -41.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.5 p -51.19 -46.5 62.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 96' ' ' ARG . 4.0 pt-20 -56.21 -36.67 68.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 97' ' ' LYS . 23.0 mt -54.85 -179.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -113.09 176.56 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -79.14 -176.19 5.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.05 -33.19 10.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -81.3 -36.41 29.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.95 -46.05 42.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 27.5 tp -73.4 -54.91 7.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.506 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 22.2 t80 -49.56 -60.88 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -78.88 9.13 4.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 109' ' ' VAL . 6.7 t 40.82 44.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -69.72 -62.06 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -128.3 95.07 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 116' ' ' ILE . 21.5 t80 -70.6 -37.42 73.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.39 -37.29 8.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -65.94 -37.06 85.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.786 0.327 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.6 t -69.53 -41.54 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 112' ' ' PHE . 52.7 mt -59.91 -52.94 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 118' ' ' THR . 13.1 tm-20 -46.43 -58.91 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 117' ' ' GLU . 33.2 m -34.29 -50.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.202 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.68 -47.84 83.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.501 ' HA ' ' CG ' ' A' ' 136' ' ' PHE . 47.9 t -42.06 -45.47 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -75.12 -44.47 46.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 125' ' ' THR . 15.9 tp -42.64 -48.62 5.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 90.3 p -42.31 -44.75 3.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -44.08 -39.66 4.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 122' ' ' LEU . 65.4 p -42.7 147.02 0.66 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.604 0.716 . . . . 0.0 111.134 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 0.76 5.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.706 2.27 . . . . 0.0 112.322 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -96.71 -37.72 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -71.92 -43.51 65.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.29 -40.7 81.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.27 -49.07 5.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.6 p -57.56 -39.53 76.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.99 21.74 11.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.3 mt -78.19 142.08 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 111.098 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -43.79 110.27 0.94 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 141.02 44.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.501 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 19.6 m-85 -49.82 155.29 1.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.702 0.763 . . . . 0.0 110.828 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 118.63 5.79 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.656 2.237 . . . . 0.0 112.33 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.9 t -51.24 106.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -116.25 169.59 13.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 162.44 42.08 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 19.7 m -114.29 176.41 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.4 t -45.54 127.79 7.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.54 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t -53.65 145.19 15.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.6 p -93.59 117.86 30.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.7 151.68 7.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -130.75 42.74 3.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.853 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 t -60.24 107.67 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.74 172.78 41.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.7 ttt -102.61 97.71 7.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -48.36 157.0 0.73 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -20.9 34.18 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.673 2.248 . . . . 0.0 112.367 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.585 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 6.0 p-90 -65.22 -35.76 82.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.558 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 20.7 mmtt -59.84 -41.38 91.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -68.48 -49.82 56.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 15' ' ' ALA . 43.1 t -49.13 -51.69 30.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -35.18 -43.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -62.1 -58.32 8.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.55 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 29.7 t90 -46.42 -41.96 14.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.886 ' O ' HG22 ' A' ' 23' ' ' VAL . 18.3 mt -60.1 -53.36 58.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.3 mt -55.05 -38.14 45.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.499 ' HB3' HG23 ' A' ' 133' ' ' ILE . 31.1 m-70 -76.21 -31.76 58.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.55 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 65.6 m -71.11 0.4 7.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp 68.89 46.1 0.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.886 HG22 ' O ' ' A' ' 18' ' ' LEU . 29.5 m -122.96 -28.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.68 HD22 ' NE2' ' A' ' 28' ' ' HIS . 84.1 mt -133.91 149.01 70.58 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.573 0.702 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.449 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 54.1 Cg_endo -69.75 167.6 23.96 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.757 2.305 . . . . 0.0 112.332 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.6 p -73.83 -34.61 64.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -103.33 26.54 8.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.68 ' NE2' HD22 ' A' ' 24' ' ' LEU . 7.0 t60 -51.28 -178.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -80.15 -31.3 38.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.7 m -68.73 -18.16 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.5 p -85.65 -23.53 27.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -51.59 154.87 1.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -67.56 -33.5 75.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 m -92.76 31.94 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -96.56 148.52 22.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' VAL . 48.7 mt-30 -141.99 160.47 40.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.585 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 6.7 m -34.22 -43.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.3 -58.12 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -39.97 -56.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.4 tp -67.17 -30.8 70.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.07 -25.59 62.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 44' ' ' LEU . 27.3 mt-30 -77.06 -63.77 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -42.61 -23.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 42' ' ' GLN . 31.7 mt -102.62 -31.19 10.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -40.12 -39.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -58.23 -49.91 75.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.38 28.07 8.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.504 HG13 HD23 ' A' ' 69' ' ' LEU . 87.6 t -104.97 -38.83 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 111.136 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 55.5 tp -74.12 -50.61 18.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' LEU . 14.1 mt -36.47 -54.61 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 53.0 m -54.84 -42.24 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' LEU . 27.2 mt-30 -56.45 -47.38 79.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' GLN . 68.5 tp -37.57 -59.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.927 HD22 ' CE1' ' A' ' 93' ' ' PHE . 78.0 mt -58.37 -47.24 84.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -54.67 -26.77 35.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -78.54 -46.23 20.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.3 mt -68.3 -55.01 13.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.468 ' HB2' HG21 ' A' ' 127' ' ' ILE . 11.2 ttt180 -115.02 158.78 21.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.76 148.74 21.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 58.48 34.54 24.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 m -80.6 -44.4 19.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.458 HD11 HD12 ' A' ' 54' ' ' LEU . 64.2 mt -147.98 127.09 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -77.85 105.91 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.4 ' HB3' HD11 ' A' ' 69' ' ' LEU . 74.5 mt -43.96 -34.09 1.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -64.24 -39.18 93.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.64 -29.91 70.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.595 HG23 HG21 ' A' ' 84' ' ' THR . 22.9 pt -100.55 140.24 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -76.33 105.79 7.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.504 HD23 HG13 ' A' ' 48' ' ' VAL . 16.4 mt -79.49 134.9 36.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 70' ' ' ARG . 16.2 ttm105 68.54 54.86 0.6 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.73 . . . . 0.0 110.877 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 70' ' ' ARG . 53.6 Cg_endo -69.74 -4.43 14.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.731 2.287 . . . . 0.0 112.336 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 46.35 39.95 7.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.2 mmt 63.36 45.49 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 75' ' ' GLN . 3.2 m -92.12 100.35 12.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.502 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 45.1 tt0 -34.47 -57.2 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -49.36 -55.91 11.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 78' ' ' CYS . 46.5 mt -66.79 -65.54 0.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 77' ' ' LEU . 85.6 m -34.55 -57.24 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.8 mt -50.79 -56.79 10.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.04 -55.01 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 82' ' ' ILE . 9.9 m-20 -48.38 -66.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 81' ' ' ASN . 83.7 mt -34.41 -51.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -52.63 -53.75 42.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.813 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.595 HG21 HG23 ' A' ' 67' ' ' ILE . 89.5 m -40.09 -42.33 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -64.22 -67.19 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 101' ' ' PHE . 7.0 mt -42.91 -28.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.1 m -64.68 -56.59 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -53.73 -37.71 63.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 73.0 m -49.52 -28.11 5.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 14.5 t -105.94 -24.79 12.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.93 -59.45 2.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 88' ' ' ALA . 86.2 m -63.76 -54.34 36.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.927 ' CE1' HD22 ' A' ' 54' ' ' LEU . 37.9 m-85 -92.71 -64.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.66 59.27 0.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.431 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.407 ' HE3' HD21 ' A' ' 100' ' ' LEU . 37.7 mtm -99.08 175.28 5.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -77.6 105.75 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -34.22 4.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.9 t -59.05 -35.23 72.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.92 -37.38 64.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.407 HD21 ' HE3' ' A' ' 95' ' ' MET . 76.3 mt -52.83 158.79 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.698 ' CE2' HG13 ' A' ' 115' ' ' VAL . 42.9 p90 -88.3 170.5 10.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -91.15 126.07 36.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.58 -41.68 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 105' ' ' ASP . 12.0 t80 -61.94 -58.96 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 104' ' ' PHE . 80.5 m-20 -36.67 -40.49 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.7 tp -73.51 -52.61 12.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.502 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 22.5 t80 -57.18 -57.39 12.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 109' ' ' VAL . 1.7 t70 -78.81 10.23 3.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' ASP . 3.5 t 37.45 48.78 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -74.69 -66.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -127.58 94.93 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -65.95 -42.1 90.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -44.15 -34.39 3.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.7 mtpt -63.58 -37.01 85.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.698 HG13 ' CE2' ' A' ' 101' ' ' PHE . 61.8 t -71.79 -40.31 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 55.8 mt -58.23 -46.96 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -52.36 -49.96 63.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 98.3 m -44.3 -51.18 8.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.8 mt -62.13 -40.77 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.492 ' HA ' ' CD2' ' A' ' 136' ' ' PHE . 37.8 t -50.0 -38.47 37.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 122' ' ' LEU . 38.6 mtp180 -81.61 -53.23 6.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 125' ' ' THR . 32.0 tp -37.15 -51.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.553 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 89.9 p -42.53 -47.43 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.437 ' NH1' ' HB2' ' A' ' 142' ' ' SER . 46.6 mmm-85 -42.57 -39.74 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 122' ' ' LEU . 76.6 p -40.21 149.08 0.31 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.545 0.688 . . . . 0.0 111.159 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.08 11.29 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.242 . . . . 0.0 112.345 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.468 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -93.29 -45.31 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -65.23 -40.87 94.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.1 mt -73.27 -38.72 65.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.19 -43.69 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 42.9 p -62.35 -39.07 91.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.48 25.32 13.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.499 HG23 ' HB3' ' A' ' 20' ' ' HIS . 73.6 mt -83.02 138.23 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.362 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 133' ' ' ILE . 26.3 mmt180 -32.72 95.67 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 133' ' ' ILE . 54.0 Cg_endo -69.72 143.17 50.17 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.492 ' CD2' ' HA ' ' A' ' 120' ' ' SER . 37.0 m-85 -45.36 156.95 0.38 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.611 0.72 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.5 3.49 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.293 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 47.6 p -63.99 140.57 58.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -90.5 171.73 36.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -2.17 9.7 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.262 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.6 m -80.67 -45.29 17.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.437 ' HB2' ' NH1' ' A' ' 124' ' ' ARG . 67.2 m -41.31 141.05 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.523 -179.956 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 m -84.41 146.67 27.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -99.41 119.48 38.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.18 -174.64 49.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -119.9 -58.37 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.928 0.394 . . . . 0.0 110.887 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 7' ' ' GLY . 94.4 p -41.38 121.33 1.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -38.01 -80.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 ttp -98.3 116.93 31.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -73.66 157.06 88.05 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.642 0.734 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 0.49 5.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.638 2.225 . . . . 0.0 112.328 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.628 ' CD1' HG13 ' A' ' 37' ' ' VAL . 5.7 p-90 -95.81 -36.91 10.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -53.44 -48.92 68.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.409 ' CD ' ' HG3' ' A' ' 137' ' ' PRO . 22.6 mt-30 -69.15 -48.94 61.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.2 t -41.23 -45.86 2.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.682 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -41.21 -45.51 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -55.27 -66.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.546 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 30.1 t90 -42.03 -40.22 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.83 ' O ' HG22 ' A' ' 23' ' ' VAL . 20.6 mt -61.66 -52.53 63.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.2 mt -56.73 -36.33 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -77.89 -30.96 51.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.546 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 57.3 m -71.92 0.52 9.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt 67.76 50.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.7 m -128.37 -29.92 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.994 HD22 ' CE1' ' A' ' 28' ' ' HIS . 67.4 mt -130.46 146.76 63.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.721 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.472 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.5 Cg_endo -69.7 154.88 67.43 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.0 p -65.32 -27.01 68.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -108.34 22.87 15.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.994 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.8 t-80 -49.25 177.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.08 -16.57 35.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.3 m -82.03 -13.49 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.0 p -83.01 -21.72 33.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -57.45 149.82 20.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -72.55 -15.34 61.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -101.3 21.55 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -95.11 158.64 15.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.077 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -139.22 162.14 35.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.628 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.7 m -37.89 -49.39 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.546 ' CE2' ' OE1' ' A' ' 42' ' ' GLN . 11.4 t80 -42.79 -62.55 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -38.49 -58.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.5 HD11 HD13 ' A' ' 18' ' ' LEU . 51.6 tp -64.95 -24.42 67.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -78.96 -26.35 43.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.546 ' OE1' ' CE2' ' A' ' 38' ' ' PHE . 20.6 mt-30 -73.82 -56.62 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.663 HG23 ' HG ' ' A' ' 44' ' ' LEU . 12.4 t -45.33 -27.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.165 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.663 ' HG ' HG23 ' A' ' 43' ' ' THR . 14.9 mt -102.92 -24.18 13.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -44.65 -31.91 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -53.9 16.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.19 19.24 9.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.48 -34.4 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' GLN . 20.7 tp -76.43 -52.39 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.99 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.552 HD22 ' CE2' ' A' ' 85' ' ' PHE . 12.0 mt -36.18 -56.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.541 ' SG ' HG21 ' A' ' 67' ' ' ILE . 86.7 m -52.4 -41.12 62.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' LEU . 25.8 mt-30 -57.18 -52.01 67.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 tp -38.64 -64.89 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.864 HD12 HD11 ' A' ' 62' ' ' ILE . 51.3 mt -51.17 -41.49 60.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 79.1 m-20 -64.33 -31.19 72.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -72.96 -44.4 61.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.65 -54.25 21.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.801 ' HB2' HG21 ' A' ' 127' ' ' ILE . 10.7 ttt85 -118.25 155.33 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.0 145.5 25.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 60.65 34.63 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -79.91 -43.38 22.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.864 HD11 HD12 ' A' ' 54' ' ' LEU . 36.6 mt -151.03 121.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -73.88 111.72 9.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.567 HD23 HD11 ' A' ' 67' ' ' ILE . 78.5 mt -47.95 -37.21 13.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -57.92 -40.33 80.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -62.4 -27.59 69.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.567 HD11 HD23 ' A' ' 64' ' ' LEU . 26.3 pt -103.56 138.9 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -70.46 91.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.9 mt -50.2 -18.05 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -128.22 87.47 55.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.609 0.719 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.522 ' O ' HD12 ' A' ' 77' ' ' LEU . 53.3 Cg_endo -69.78 -10.77 29.36 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.309 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 42.44 43.86 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 66.4 mmm 44.94 53.89 7.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -115.95 143.16 45.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.518 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 33.9 tt0 -72.55 -41.13 66.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -63.94 -46.56 84.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 71' ' ' PRO . 21.8 mt -71.4 -56.95 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 60.7 m -46.36 -57.86 4.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.3 mt -51.63 -55.85 16.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -49.01 -54.5 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 82' ' ' ILE . 61.4 m-20 -45.39 -66.93 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 81' ' ' ASN . 81.8 mt -34.98 -59.15 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -43.13 -53.42 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.53 HG21 ' CG2' ' A' ' 67' ' ' ILE . 88.5 m -42.55 -49.11 5.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.552 ' CE2' HD22 ' A' ' 50' ' ' LEU . 8.9 t80 -59.95 -51.01 71.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.563 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 23.7 mt -59.33 -28.98 67.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 87.5 m -63.85 -64.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -48.1 -42.62 29.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.3 m -43.63 -23.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.406 ' N ' ' C ' ' A' ' 88' ' ' ALA . 46.6 m -106.11 -23.07 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 88' ' ' ALA . 4.7 mt-10 -93.68 -64.62 1.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.9 m -64.92 -43.09 93.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.553 ' CD2' HD11 ' A' ' 122' ' ' LEU . 7.0 m-85 -97.1 -63.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.04 73.95 1.21 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 65.5 mtp -121.54 173.64 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.775 0.322 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.469 ' HB2' ' CG ' ' A' ' 99' ' ' GLU . 51.7 mtt85 -65.68 114.89 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -57.74 -31.83 66.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.0 p -66.57 -25.77 66.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.786 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 96' ' ' ARG . 5.7 mm-40 -74.57 -41.65 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.43 ' HB3' HD22 ' A' ' 86' ' ' LEU . 27.2 mt -48.37 166.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.854 ' CE2' HG13 ' A' ' 115' ' ' VAL . 43.7 p90 -96.02 178.19 5.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -94.48 141.75 28.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.11 -44.17 61.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 108' ' ' ASP . 4.3 t80 -72.37 -48.39 42.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -38.6 -35.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.476 HD13 HG21 ' A' ' 115' ' ' VAL . 23.7 tp -90.5 -47.79 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.518 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 11.3 t80 -51.36 -69.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.509 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 3.6 t0 -67.97 -9.17 43.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.0 t 66.87 37.05 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -61.31 -65.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -131.02 96.23 4.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -70.59 -36.38 73.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.48 -29.63 17.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -68.67 -36.23 78.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.854 HG13 ' CE2' ' A' ' 101' ' ' PHE . 20.8 t -73.93 -37.86 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 49.4 mt -61.23 -47.82 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -49.67 -51.75 35.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.2 m -43.84 -44.02 6.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.76 -31.32 64.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.1 t -60.29 -38.65 84.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -89.54 -34.51 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.553 HD11 ' CD2' ' A' ' 93' ' ' PHE . 44.6 tp -50.49 -49.18 56.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 79.9 p -43.32 -33.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.3 mtt-85 -52.72 -42.53 64.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 76.7 p -40.23 149.94 0.28 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.625 0.726 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -5.56 16.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.801 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -90.61 -38.89 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -70.51 -43.43 69.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 132' ' ' GLY . 54.3 mt -69.84 -39.33 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -39.69 -49.72 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 36.3 p -55.06 -36.9 66.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 100.37 20.36 15.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.6 mt -79.77 135.51 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -45.91 132.33 6.93 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 144.8 54.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -46.64 143.27 4.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.409 ' HG3' ' CD ' ' A' ' 13' ' ' GLN . 53.7 Cg_endo -69.75 -21.59 33.31 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.306 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.2 t -124.18 144.36 49.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -143.5 153.43 24.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 102.95 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.9 m -101.35 165.91 11.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 56.7 p -128.26 84.45 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.455 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -88.21 128.72 35.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.911 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -102.73 153.78 19.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -154.07 -138.35 2.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLY . 56.0 p 37.9 42.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.86 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -62.58 99.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.61 -63.47 3.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.7 ttm -125.59 120.59 31.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.763 0.315 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.88 154.89 0.18 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.636 0.731 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -19.94 35.58 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.72 2.28 . . . . 0.0 112.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.544 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 12.1 p-90 -95.66 -40.02 9.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.413 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 24.6 mmtt -43.87 -47.0 8.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -77.58 -36.39 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.4 t -51.54 -41.8 61.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.99 -42.81 8.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -59.06 -63.01 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 20.6 t90 -40.35 -43.43 1.76 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.821 ' O ' HG22 ' A' ' 23' ' ' VAL . 81.1 mt -58.57 -51.23 70.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.3 mt -58.12 -41.18 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.724 ' HB3' HG23 ' A' ' 133' ' ' ILE . 36.7 m-70 -74.12 -26.98 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 89.1 m -79.03 7.96 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? 57.05 47.96 16.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.821 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.1 m -125.83 -25.2 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.905 HD22 ' CE1' ' A' ' 28' ' ' HIS . 74.4 mt -136.32 147.79 61.6 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.461 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.6 Cg_endo -69.75 148.95 66.28 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.688 2.258 . . . . 0.0 112.31 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.1 p -62.09 -22.71 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -110.55 20.59 17.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.905 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.5 t-80 -49.42 171.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -81.08 -20.8 40.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 m -74.99 -22.95 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -69.99 -35.39 74.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -54.34 140.56 33.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.01 -48.78 77.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 m -47.69 -31.98 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.63 166.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -149.9 163.11 38.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.544 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 6.6 m -40.76 -41.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' ' CD ' ' A' ' 42' ' ' GLN . 9.8 t80 -54.57 -62.61 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' PHE . 60.5 m-20 -37.27 -58.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.715 HD11 HD11 ' A' ' 18' ' ' LEU . 46.2 tp -62.15 -29.07 70.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -78.83 -13.35 59.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.562 ' CD ' ' CZ ' ' A' ' 38' ' ' PHE . 21.0 mt-30 -87.66 -51.38 5.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -53.82 -20.02 5.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.9 mt -106.89 -21.6 12.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -47.12 -43.2 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.78 -49.35 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.8 26.08 8.73 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.9 t -107.33 -36.57 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.9 tp -76.08 -51.89 11.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -39.76 -50.91 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.414 ' HA ' HD12 ' A' ' 62' ' ' ILE . 99.9 m -55.84 -41.97 75.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' LEU . 23.6 mt-30 -57.87 -49.8 75.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.465 HD21 ' CH2' ' A' ' 17' ' ' TRP . 24.1 tp -37.98 -53.22 1.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.859 HD12 HD11 ' A' ' 62' ' ' ILE . 24.7 mt -63.5 -45.33 91.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -58.09 -21.69 47.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -81.17 -48.64 11.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.7 mt -69.47 -51.42 36.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.442 ' HD2' HG22 ' A' ' 92' ' ' THR . 15.8 ttt-85 -114.76 155.92 25.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.599 ' O ' ' CD2' ' A' ' 60' ' ' HIS . . . -89.87 152.01 21.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 59' ' ' ALA . 28.3 p80 48.93 38.12 11.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.442 ' HB3' HG21 ' A' ' 92' ' ' THR . 1.1 m -80.38 -33.87 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.859 HD11 HD12 ' A' ' 54' ' ' LEU . 54.8 mt -156.1 127.47 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 66' ' ' GLU . 64.2 t-20 -76.89 106.12 8.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.5 mt -46.8 -30.11 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -73.33 -32.76 64.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' ASN . 18.8 mm-40 -69.98 -21.74 63.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 9.2 pt -106.56 130.98 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.153 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -65.21 100.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.69 -38.21 90.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.0 83.98 6.54 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.648 0.737 . . . . 0.0 110.847 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 2.18 3.81 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 39.59 34.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.8 mmt 58.65 49.79 9.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.1 m -118.44 134.98 54.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.499 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 51.5 tt0 -62.58 -63.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' GLN . 4.3 t80 -35.82 -48.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.7 mt -72.32 -57.54 4.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 10.4 t -44.1 -59.27 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 mt -46.68 -59.42 3.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 83' ' ' ARG . 1.2 tmmm? -50.18 -56.0 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 80' ' ' LYS . 62.9 m-20 -36.96 -50.49 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.5 mt -60.84 -37.78 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 80' ' ' LYS . 10.1 mmt85 -48.29 -62.76 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 m -39.6 -60.67 0.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -44.81 -51.29 9.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.7 mt -61.99 -29.01 69.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.525 HG22 ' HG3' ' A' ' 91' ' ' GLU . 27.0 m -74.75 -44.09 51.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.64 -21.13 66.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.4 m -68.44 -16.61 63.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 37.4 t -121.08 -18.36 7.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.525 ' HG3' HG22 ' A' ' 87' ' ' THR . 7.5 mm-40 -95.02 -43.8 7.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.442 HG21 ' HB3' ' A' ' 61' ' ' SER . 86.1 m -84.35 -44.71 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.475 ' CE2' HD11 ' A' ' 122' ' ' LEU . 35.3 m-85 -97.93 -61.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.03 64.22 0.81 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.546 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.403 ' SD ' ' CD ' ' A' ' 99' ' ' GLU . 10.1 ptp -110.44 -177.67 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.836 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -69.1 96.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -47.76 -19.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.8 m -77.84 -37.38 48.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.425 ' OE2' ' CD ' ' A' ' 121' ' ' ARG . 4.7 pt-20 -62.84 -30.43 71.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.403 ' CD2' ' SD ' ' A' ' 95' ' ' MET . 25.8 mt -52.4 166.38 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.857 ' CE2' HG13 ' A' ' 115' ' ' VAL . 41.5 p90 -99.5 166.69 11.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -81.5 131.7 35.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -45.92 -36.82 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 10.7 t80 -72.32 -51.55 20.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.421 ' OD1' ' C ' ' A' ' 105' ' ' ASP . 0.6 OUTLIER -38.23 -43.26 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.2 tp -79.1 -51.13 9.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.499 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 10.8 t80 -47.83 -59.02 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -82.1 -12.24 58.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.9 t 67.21 38.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -59.85 -62.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -132.22 91.49 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -62.23 -36.6 82.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.11 -36.27 7.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -67.61 -37.46 82.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.857 HG13 ' CE2' ' A' ' 101' ' ' PHE . 21.7 t -69.95 -38.47 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 41.6 mt -63.13 -48.6 86.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -50.99 -47.77 61.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.5 m -43.86 -44.52 6.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.1 mt -70.66 -44.28 67.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.525 ' HA ' ' CG ' ' A' ' 136' ' ' PHE . 1.8 m -45.18 -29.91 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.425 ' CD ' ' OE2' ' A' ' 99' ' ' GLU . 45.0 mtt180 -92.43 -52.32 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 125' ' ' THR . 34.6 tp -37.05 -41.78 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.563 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 59.6 p -54.48 -47.99 72.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.42 ' NH2' ' HB2' ' A' ' 138' ' ' SER . 24.4 mmt-85 -39.7 -31.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 122' ' ' LEU . 58.7 p -51.58 151.1 6.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 0.0 111.108 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.49 ' O ' ' HB2' ' A' ' 130' ' ' ALA . 53.4 Cg_endo -69.82 -5.37 16.09 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.313 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.414 HG21 ' HB2' ' A' ' 58' ' ' ARG . 4.6 mp -88.99 -33.04 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -82.22 -47.65 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.83 -35.17 80.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 126' ' ' PRO . . . -48.63 -51.18 29.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 31.8 p -56.81 -37.64 71.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.47 19.57 20.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.724 HG23 ' HB3' ' A' ' 20' ' ' HIS . 60.7 mt -75.27 137.7 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.428 ' HA ' ' HD2' ' A' ' 135' ' ' PRO . 94.3 mtt180 -36.54 98.81 0.16 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.632 0.73 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 53.7 Cg_endo -69.74 141.96 46.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.296 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.525 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 23.7 m-85 -52.43 146.16 17.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.671 0.748 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 2.65 3.32 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.361 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.42 ' HB2' ' NH2' ' A' ' 124' ' ' ARG . 30.5 m -38.29 138.33 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 169.77 -172.13 43.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 127.94 15.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 50.5 m -114.41 142.39 46.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.8 t 47.17 45.4 16.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -102.41 171.24 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.885 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.6 m -84.81 168.75 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.54 -108.99 1.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -102.87 133.02 48.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 0.0 110.883 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.7 p -165.69 154.76 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.55 -109.14 0.2 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ttt -119.74 128.1 53.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.701 0.286 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -80.86 160.9 65.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -39.59 6.23 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.306 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.602 ' CD1' HG13 ' A' ' 37' ' ' VAL . 16.6 p-90 -60.33 -31.58 70.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -52.7 -68.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -56.6 -41.06 76.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.8 t -45.6 -43.14 11.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.595 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -46.28 -43.89 16.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -55.33 -63.28 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.541 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 43.5 t90 -40.06 -45.03 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.704 ' O ' HG22 ' A' ' 23' ' ' VAL . 20.6 mt -58.47 -52.55 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.8 mt -53.26 -39.56 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -73.91 -38.28 64.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.541 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 58.1 m -65.63 -5.86 9.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt 72.47 51.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 18' ' ' LEU . 5.3 m -127.63 -31.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.012 HD22 ' CE1' ' A' ' 28' ' ' HIS . 69.4 mt -128.44 148.79 69.54 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.604 0.716 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.546 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.81 156.54 62.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.24 . . . . 0.0 112.349 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.5 p -66.48 -27.97 68.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -105.89 18.72 21.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 1.012 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.8 t-80 -45.67 170.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -77.4 -47.23 20.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.5 m -50.82 -31.54 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.48 HG23 ' HB3' ' A' ' 28' ' ' HIS . 38.9 p -55.72 -44.69 77.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -50.43 145.73 6.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -65.75 -27.55 68.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 m -64.17 -35.82 82.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.88 159.38 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' VAL . 65.3 mt-30 -142.58 166.06 25.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.602 HG13 ' CD1' ' A' ' 11' ' ' TRP . 4.7 m -35.93 -40.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -57.47 -64.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -39.72 -56.44 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.4 tp -66.57 -22.67 66.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -80.54 -25.16 38.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -77.23 -53.45 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.578 HG23 ' HG ' ' A' ' 44' ' ' LEU . 14.2 t -46.5 -21.32 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.578 ' HG ' HG23 ' A' ' 43' ' ' THR . 12.9 mt -110.08 -27.67 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.971 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' LEU . 19.0 ttt180 -37.29 -44.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.45 -44.23 84.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 96.35 13.86 46.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.479 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.7 t -87.35 -33.42 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 111.184 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.501 HD23 ' CD2' ' A' ' 44' ' ' LEU . 13.9 tp -77.28 -53.79 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.3 mt -35.96 -56.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.696 ' HA ' HD12 ' A' ' 62' ' ' ILE . 67.3 m -50.22 -41.9 50.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' LEU . 12.1 mt-30 -60.17 -53.19 60.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' GLN . 30.1 tp -36.17 -59.74 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.728 HD12 HD11 ' A' ' 62' ' ' ILE . 50.1 mt -58.3 -36.95 74.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' GLN . 90.0 m-20 -65.85 -24.53 66.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -78.53 -44.47 24.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.8 mt -68.39 -52.91 27.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.586 ' HB2' HG21 ' A' ' 127' ' ' ILE . 25.4 ttt-85 -117.66 159.3 23.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.31 143.47 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 62.33 31.43 17.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.443 ' HB3' HG21 ' A' ' 92' ' ' THR . 1.5 m -75.19 -46.62 32.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.728 HD11 HD12 ' A' ' 54' ' ' LEU . 42.5 mt -143.09 121.3 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -70.21 107.84 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.465 HD23 HD11 ' A' ' 67' ' ' ILE . 84.7 mt -49.81 -29.18 7.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -71.38 -33.49 69.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -70.37 -21.73 62.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.472 HG21 ' SG ' ' A' ' 51' ' ' CYS . 19.0 pt -106.62 142.07 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.434 ' ND2' HD22 ' A' ' 77' ' ' LEU . 54.1 m-80 -74.81 89.95 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 mt -52.64 -29.47 26.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -122.38 80.95 45.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.583 0.706 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -15.82 37.46 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.751 2.301 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 47.04 41.2 10.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 29.9 mmt 57.28 49.04 13.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.6 m -104.01 113.87 27.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -51.13 -44.06 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -60.9 -60.57 3.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.434 HD22 ' ND2' ' A' ' 68' ' ' ASN . 71.6 mt -56.9 -62.46 1.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 77' ' ' LEU . 82.7 m -37.18 -59.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.7 mt -52.12 -43.24 63.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -51.32 69.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -50.4 -62.53 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.7 mt -37.76 -56.65 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -46.43 -48.08 18.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.6 m -47.91 -41.13 23.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -66.31 -53.99 30.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 30.8 mt -55.07 -30.74 60.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.518 HG22 ' HG3' ' A' ' 91' ' ' GLU . 20.2 m -73.36 -45.83 52.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.98 -18.3 59.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.4 m -69.74 -24.01 63.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 56.1 m -110.59 -17.63 13.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.518 ' HG3' HG22 ' A' ' 87' ' ' THR . 6.4 mm-40 -92.3 -50.31 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.443 HG23 ' HD3' ' A' ' 58' ' ' ARG . 90.6 m -77.28 -55.43 5.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.598 ' CE2' HD11 ' A' ' 122' ' ' LEU . 13.2 m-85 -86.94 -58.39 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.3 65.52 0.9 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.1 ptp -111.75 -176.33 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -71.09 129.85 40.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -86.01 29.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.0 m -119.34 -28.88 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.732 ' OE2' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -80.27 -23.99 40.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.732 HD23 ' OE2' ' A' ' 99' ' ' GLU . 58.0 mt -51.76 161.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.703 ' CE2' HG13 ' A' ' 115' ' ' VAL . 36.8 p90 -98.91 164.72 12.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -83.58 122.17 28.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -38.82 -40.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -64.59 -50.17 68.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -43.83 -36.35 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.417 HD13 HG21 ' A' ' 115' ' ' VAL . 24.7 tp -80.23 -57.8 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -45.68 -66.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.61 -4.11 14.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.2 t 56.67 33.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -54.72 -74.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -122.23 89.51 3.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -58.34 -38.63 77.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.66 -31.5 5.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -66.85 -36.97 83.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.703 HG13 ' CE2' ' A' ' 101' ' ' PHE . 21.3 t -73.1 -37.0 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 26.9 mt -62.35 -46.71 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -53.29 -51.65 61.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.3 m -40.29 -47.94 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.58 -40.14 95.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.461 ' HA ' ' CG ' ' A' ' 136' ' ' PHE . 45.7 t -52.63 -36.24 56.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.1 mtp85 -82.07 -47.68 12.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.598 HD11 ' CE2' ' A' ' 93' ' ' PHE . 16.1 tp -48.72 -46.99 41.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 72.0 p -46.22 -24.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -68.0 -41.96 81.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 58.5 p -39.05 149.55 0.24 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 2.0 3.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -96.69 -39.52 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.39 -40.74 50.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.403 ' CD2' ' HB3' ' A' ' 135' ' ' PRO . 73.8 mt -69.96 -36.36 75.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.77 -49.87 10.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.0 p -57.01 -34.43 68.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.9 23.56 25.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.474 ' O ' ' C ' ' A' ' 134' ' ' ARG . 57.1 mt -79.84 135.92 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.146 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 133' ' ' ILE . 47.5 mtp85 -32.23 95.71 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.634 0.73 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.2 Cg_endo -69.83 143.18 49.71 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.672 2.248 . . . . 0.0 112.299 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.461 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 23.4 m-85 -50.97 155.07 2.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.647 0.737 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 110.32 2.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.311 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 49.9 m -79.23 -41.34 28.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 125.89 158.62 10.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -27.22 26.82 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.6 t -61.28 135.11 57.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 60.0 p -130.92 122.4 26.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -132.19 -46.75 0.92 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 m -156.83 125.65 5.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.72 142.61 32.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -116.14 -51.22 2.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.838 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p 40.06 41.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.01 140.43 2.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 tpp -42.73 121.56 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -61.32 157.83 41.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -15.92 37.24 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.64 2.227 . . . . 0.0 112.332 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.774 ' CD1' HG13 ' A' ' 37' ' ' VAL . 6.5 p-90 -83.73 -33.77 25.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -52.19 -46.02 65.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -75.18 -41.66 57.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.6 t -47.87 -46.81 31.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.95 -43.75 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' TRP . 9.9 mm-40 -57.4 -66.73 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.547 ' CH2' HD21 ' A' ' 53' ' ' LEU . 30.1 t90 -35.79 -49.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.83 ' O ' HG22 ' A' ' 23' ' ' VAL . 26.5 mt -54.68 -53.77 50.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.425 HD11 ' CG2' ' A' ' 31' ' ' THR . 69.9 mt -53.32 -42.04 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.656 ' HB3' HG23 ' A' ' 133' ' ' ILE . 51.6 m-70 -73.19 -31.97 64.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.542 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 56.0 m -72.85 2.04 7.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm 65.41 45.89 2.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 18' ' ' LEU . 16.6 m -122.4 -25.48 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.046 HD22 ' CE1' ' A' ' 28' ' ' HIS . 86.6 mt -134.74 148.88 69.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 54.0 Cg_endo -69.73 166.91 25.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.331 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.9 p -74.46 -30.87 62.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -106.73 26.24 10.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 1.046 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.1 t-160 -50.8 -176.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.79 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -93.26 -18.55 22.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.4 -32.6 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.425 ' CG2' HD11 ' A' ' 19' ' ' ILE . 69.3 p -66.28 -37.38 85.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -51.95 134.77 31.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -51.63 -38.13 53.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -58.58 -43.28 89.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.79 ' HB2' ' O ' ' A' ' 29' ' ' ARG . . . -43.76 162.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 37' ' ' VAL . 86.0 mt-30 -151.94 161.35 42.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.774 HG13 ' CD1' ' A' ' 11' ' ' TRP . 1.7 m -33.57 -49.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.42 ' CE1' HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -49.08 -59.0 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -42.3 -59.56 1.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.6 tp -62.42 -25.13 67.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.53 -20.67 43.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.079 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -81.58 -53.63 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.3 t -50.21 -25.08 3.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' ARG . 36.2 mt -101.61 -31.73 10.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 44' ' ' LEU . 16.5 ttt180 -37.25 -45.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -54.03 -50.19 67.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.91 26.81 7.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.45 HG13 ' HA ' ' A' ' 69' ' ' LEU . 97.5 t -102.12 -35.93 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 52' ' ' GLN . 45.5 tp -82.35 -49.72 9.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -37.43 -52.83 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.628 ' SG ' HD13 ' A' ' 62' ' ' ILE . 6.5 m -55.37 -42.55 74.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' LEU . 32.8 mt-30 -53.9 -50.46 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.547 HD21 ' CH2' ' A' ' 17' ' ' TRP . 43.6 tp -36.16 -65.55 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.605 HD12 HD11 ' A' ' 62' ' ' ILE . 45.4 mt -52.12 -45.93 65.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -56.13 -30.57 62.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -75.45 -43.65 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.2 mt -68.62 -55.74 10.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.601 ' HB2' HG21 ' A' ' 127' ' ' ILE . 9.1 ttt85 -115.45 157.55 23.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.0 145.24 24.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 61.95 33.64 17.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.5 m -78.37 -44.57 24.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.628 HD13 ' SG ' ' A' ' 51' ' ' CYS . 61.1 mt -147.85 144.57 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.156 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 63' ' ' ASN . 17.6 t-20 -95.45 110.9 22.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.627 HD23 HD11 ' A' ' 67' ' ' ILE . 95.0 mt -48.67 -43.91 37.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' N ' ' HE3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -54.67 -39.94 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' HG3' ' ND2' ' A' ' 63' ' ' ASN . 17.4 mt-10 -65.59 -24.57 67.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.627 HD11 HD23 ' A' ' 64' ' ' LEU . 15.0 pt -106.11 134.94 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -73.01 86.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.45 ' HA ' HG13 ' A' ' 48' ' ' VAL . 14.4 mt -45.05 -37.56 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.3 ttm-85 -119.57 83.18 27.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -19.79 35.81 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 60.1 39.44 19.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.8 mmt 60.38 41.81 15.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.548 ' HB2' HD12 ' A' ' 77' ' ' LEU . 2.9 m -96.55 120.35 36.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 107' ' ' PHE . 38.0 tt0 -57.8 -40.5 80.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -66.02 -58.6 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.548 HD12 ' HB2' ' A' ' 74' ' ' SER . 47.3 mt -55.92 -47.94 76.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.0 m -55.19 -62.64 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.0 mt -46.81 -45.71 20.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -53.55 55.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -46.74 -58.32 3.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.7 mt -43.9 -50.33 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mtp-105 -51.9 -44.43 63.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.1 m -51.67 -50.19 60.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -58.81 -66.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.616 HD21 ' CE1' ' A' ' 101' ' ' PHE . 30.1 mt -38.05 -37.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.717 HG22 ' HG3' ' A' ' 91' ' ' GLU . 85.5 m -63.4 -54.26 39.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.02 -42.03 60.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 69.7 m -48.47 -21.77 0.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 9.6 t -113.32 -27.08 8.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.717 ' HG3' HG22 ' A' ' 87' ' ' THR . 13.4 mt-10 -83.18 -54.18 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.8 m -72.63 -48.19 41.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.433 ' CD2' HD13 ' A' ' 127' ' ' ILE . 19.0 m-85 -94.56 -69.28 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.92 56.15 0.59 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 12.1 ptm -104.46 172.76 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.722 0.296 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -65.05 116.76 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -58.48 -43.65 89.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.8 p -48.24 -34.68 10.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -66.56 -42.84 86.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.7 mt -47.96 168.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CE2' HG13 ' A' ' 115' ' ' VAL . 37.4 p90 -97.01 176.83 5.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -92.84 142.7 27.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.82 -56.75 10.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 105' ' ' ASP . 7.6 t80 -59.1 -54.02 51.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -34.68 -43.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.57 HD13 HG21 ' A' ' 115' ' ' VAL . 33.5 tp -80.99 -44.26 18.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.526 ' CZ ' ' HG3' ' A' ' 75' ' ' GLN . 20.5 t80 -54.28 -56.3 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.77 18.66 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 109' ' ' VAL . 9.0 t 39.11 36.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -56.45 -65.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -131.27 89.02 2.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -61.95 -39.37 91.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.88 -37.29 4.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -64.02 -37.21 86.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.623 HG13 ' CE2' ' A' ' 101' ' ' PHE . 37.3 t -71.2 -40.43 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.6 -48.58 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -52.1 -49.69 63.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 93.9 m -41.14 -50.22 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.9 mt -60.64 -44.15 96.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.519 ' HA ' ' CD1' ' A' ' 136' ' ' PHE . 11.0 t -49.96 -42.07 47.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -78.22 -40.87 36.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.2 tp -57.83 -34.28 69.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 27.8 p -59.56 -29.7 68.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 124' ' ' ARG . 5.4 mmm180 -60.16 -40.23 89.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 82.5 p -38.42 149.61 0.21 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.564 0.697 . . . . 0.0 111.153 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.414 ' O ' ' HB2' ' A' ' 130' ' ' ALA . 54.0 Cg_endo -69.77 1.62 4.28 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.633 2.222 . . . . 0.0 112.352 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.601 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.0 mp -97.31 -42.23 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -68.47 -39.77 81.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 49.7 mt -75.56 -36.25 60.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 126' ' ' PRO . . . -46.29 -43.88 16.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 35.7 p -63.85 -37.29 86.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.6 27.22 11.84 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.656 HG23 ' HB3' ' A' ' 20' ' ' HIS . 66.0 mt -85.38 142.14 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 133' ' ' ILE . 67.0 mtp180 -34.02 97.07 0.11 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.4 Cg_endo -69.79 156.05 64.25 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.639 2.226 . . . . 0.0 112.324 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 120' ' ' SER . 16.7 m-85 -67.22 154.11 93.39 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.703 0.763 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 143.97 52.49 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.721 2.281 . . . . 0.0 112.302 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 79.7 p -82.05 -53.12 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 98.55 156.06 29.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.09 13.35 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.3 t -87.62 150.18 23.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 41.0 t -95.84 136.56 36.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 3' ' ' SER . 57.4 p -89.02 157.79 18.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.889 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 2' ' ' SER . 31.8 t -34.7 -59.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.52 58.66 1.7 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 t -139.78 108.98 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.351 . . . . 0.0 110.837 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p -144.8 143.78 30.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.44 -114.54 4.85 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.2 ttt -144.52 113.47 6.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.96 156.54 36.03 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -11.43 30.84 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.724 2.282 . . . . 0.0 112.346 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.733 ' CD1' HG13 ' A' ' 37' ' ' VAL . 6.8 p-90 -87.15 -37.97 16.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -48.97 -49.65 39.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -71.31 -43.61 66.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.8 t -43.87 -50.37 7.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -38.6 -44.14 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -56.58 -66.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.549 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 25.3 t90 -39.02 -44.94 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.829 ' O ' HG22 ' A' ' 23' ' ' VAL . 51.9 mt -57.5 -53.82 53.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.1 mt -53.57 -40.77 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -74.17 -32.6 63.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.549 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 87.9 m -71.11 -0.54 9.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp 67.82 49.29 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.829 HG22 ' O ' ' A' ' 18' ' ' LEU . 27.8 m -125.13 -27.04 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.948 HD22 ' CE1' ' A' ' 28' ' ' HIS . 91.2 mt -133.77 151.94 77.9 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.493 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.6 Cg_endo -69.8 163.8 36.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.4 p -71.62 -29.7 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.56 21.71 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.948 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.3 t-160 -48.24 170.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.786 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -77.41 -43.72 31.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 m -51.26 -31.08 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 p -63.04 -42.39 99.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 14.3 m95 -49.57 128.38 17.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -48.97 -39.09 25.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.807 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 m -56.31 -40.39 74.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.422 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -46.5 163.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.422 ' HG3' ' C ' ' A' ' 35' ' ' ALA . 34.6 mt-30 -149.42 165.65 31.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.733 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.5 m -36.08 -51.26 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.444 ' H ' HG23 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -46.84 -60.01 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.2 -59.98 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.4 tp -63.37 -27.4 69.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.56 -21.41 57.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -81.68 -55.72 4.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.546 HG23 ' HG ' ' A' ' 44' ' ' LEU . 14.2 t -48.41 -22.92 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.589 ' CD2' HD23 ' A' ' 49' ' ' LEU . 21.3 mt -104.14 -29.74 10.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -40.01 -41.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -57.26 -47.01 82.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.23 20.15 26.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.777 HG13 HD23 ' A' ' 69' ' ' LEU . 86.1 t -97.76 -31.22 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 111.095 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.589 HD23 ' CD2' ' A' ' 44' ' ' LEU . 53.4 tp -80.04 -45.52 18.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -40.27 -57.48 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.781 ' SG ' HG21 ' A' ' 67' ' ' ILE . 67.9 m -50.12 -42.85 51.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -56.32 -46.21 79.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.0 tp -42.76 -64.18 0.66 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.552 HD22 ' CE1' ' A' ' 93' ' ' PHE . 81.8 mt -55.71 -44.01 77.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 60.1 m-20 -60.53 -24.07 65.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -80.7 -45.11 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.1 mt -68.95 -51.4 40.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.404 ' HB2' HG21 ' A' ' 127' ' ' ILE . 12.4 ttt85 -116.9 157.77 25.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.18 140.03 30.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.6 m170 64.84 33.8 9.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -76.8 -45.88 27.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 51' ' ' CYS . 68.5 mt -147.92 135.76 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 65' ' ' LYS . 22.8 t-20 -82.24 118.6 23.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.485 HD23 HD11 ' A' ' 67' ' ' ILE . 88.7 mt -55.14 -44.96 75.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -56.62 -35.16 67.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.85 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.95 -27.11 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.781 HG21 ' SG ' ' A' ' 51' ' ' CYS . 21.5 pt -101.46 130.05 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -67.45 117.43 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.777 HD23 HG13 ' A' ' 48' ' ' VAL . 19.7 mt -94.4 133.97 37.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.438 ' N ' ' CD ' ' A' ' 71' ' ' PRO . 17.5 ttt180 72.68 54.81 0.32 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 70' ' ' ARG . 53.7 Cg_endo -69.79 2.88 3.15 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.31 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 48.03 33.9 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.9 mmt 63.06 50.0 3.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.9 t -83.88 -177.84 6.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 43.0 tt0 -107.33 -48.91 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -71.59 -47.27 55.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.84 -51.59 68.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 93.4 m -57.98 -61.43 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.9 mt -45.84 -46.29 15.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.52 -57.17 11.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -44.0 -61.68 1.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.716 HD13 HD23 ' A' ' 106' ' ' LEU . 87.9 mt -38.93 -55.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -47.01 -46.59 21.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.1 m -48.14 -41.44 26.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -66.26 -62.4 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.0 mt -45.62 -30.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.558 HG22 ' HG3' ' A' ' 91' ' ' GLU . 21.9 m -65.81 -56.08 13.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -55.02 -35.69 64.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.58 -21.56 17.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 44.8 t -112.4 -28.73 7.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.558 ' HG3' HG22 ' A' ' 87' ' ' THR . 8.8 mm-40 -89.18 -54.0 4.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 88' ' ' ALA . 71.3 m -68.68 -58.15 4.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.552 ' CE1' HD22 ' A' ' 54' ' ' LEU . 6.6 m-85 -88.71 -66.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.59 60.51 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.513 ' SD ' HD21 ' A' ' 100' ' ' LEU . 25.2 ptm -104.68 165.78 10.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 96' ' ' ARG . 0.5 OUTLIER -56.91 101.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -50.21 -31.04 12.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.2 t -61.61 -31.17 71.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.435 ' CD ' ' HB2' ' A' ' 96' ' ' ARG . 45.5 mt-10 -71.39 -41.31 69.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.513 HD21 ' SD ' ' A' ' 95' ' ' MET . 57.9 mt -45.89 165.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.641 ' CE2' HG13 ' A' ' 115' ' ' VAL . 54.0 p90 -98.13 -176.89 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -101.69 132.02 47.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -47.32 -43.92 23.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 105' ' ' ASP . 13.4 t80 -59.98 -62.4 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 104' ' ' PHE . 43.2 m-20 -34.75 -43.04 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.716 HD23 HD13 ' A' ' 82' ' ' ILE . 25.5 tp -70.87 -60.18 2.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 23.1 t80 -48.99 -58.57 4.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -77.56 4.16 11.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 109' ' ' VAL . 13.7 t 41.29 50.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.075 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 110' ' ' ARG . 9.7 mtp-105 -77.5 -60.82 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.44 86.57 2.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -64.52 -40.21 95.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.83 -32.95 2.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -68.1 -37.73 81.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.641 HG13 ' CE2' ' A' ' 101' ' ' PHE . 42.3 t -68.98 -39.41 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 mt -59.39 -49.95 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -52.55 -47.58 66.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 96.8 m -42.78 -41.4 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.8 mt -73.29 -41.29 63.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.52 ' HA ' ' CG ' ' A' ' 136' ' ' PHE . 65.8 m -49.33 -38.75 29.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 37.7 mtt85 -81.85 -46.61 13.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.6 tp -45.29 -45.12 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.452 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 95.7 p -46.15 -34.65 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -52.28 -41.56 62.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 72.9 p -39.43 148.17 0.29 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -0.51 7.01 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.404 HG21 ' HB2' ' A' ' 58' ' ' ARG . 4.9 mp -94.67 -40.74 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -69.89 -42.32 73.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.41 ' CD2' ' HB3' ' A' ' 135' ' ' PRO . 52.1 mt -70.67 -38.26 73.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.2 -45.1 5.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 38.4 p -61.66 -37.51 84.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.61 26.15 12.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' A' ' 134' ' ' ARG . 56.3 mt -85.17 138.11 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 111.121 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 133' ' ' ILE . 65.5 mtp85 -32.77 96.13 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.5 Cg_endo -69.81 142.83 48.77 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.25 . . . . 0.0 112.341 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.52 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 35.5 m-85 -53.45 150.7 11.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.605 0.717 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 119.59 6.51 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.679 2.252 . . . . 0.0 112.363 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 18.5 m -72.64 179.85 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -109.47 164.61 12.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.538 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -45.48 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.5 t -100.04 145.23 28.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.8 m -106.09 -47.0 3.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -141.64 118.65 11.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.943 0.401 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 m -51.25 141.86 14.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.23 -122.48 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.45 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 t -38.52 152.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 0.0 110.803 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 7' ' ' GLY . 2.8 m -113.34 -48.81 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.7 -133.86 0.61 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.46 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ttt -123.6 109.16 13.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -57.24 152.11 32.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.72 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -13.12 34.3 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.715 2.277 . . . . 0.0 112.356 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.634 ' CD1' HG13 ' A' ' 37' ' ' VAL . 7.5 p-90 -94.17 -29.16 15.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 17.8 mmtt -57.2 -42.53 81.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -80.31 -37.04 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.1 t -51.98 -48.42 64.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -39.81 -44.99 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -54.28 -63.59 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 16.7 t90 -42.57 -43.71 3.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.884 ' O ' HG22 ' A' ' 23' ' ' VAL . 95.6 mt -59.89 -52.42 65.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.6 mt -56.96 -37.89 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.682 ' HB3' HG23 ' A' ' 133' ' ' ILE . 20.2 m-70 -80.22 -24.54 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 57.4 m -79.69 11.38 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? 56.97 46.85 18.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.884 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.9 m -125.29 -26.96 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.034 HD22 ' CE1' ' A' ' 28' ' ' HIS . 89.0 mt -136.56 148.95 65.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.548 0.69 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.459 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.78 160.76 48.51 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.725 2.283 . . . . 0.0 112.348 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.6 p -70.34 -26.76 63.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -107.8 20.19 19.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 1.034 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.4 t-160 -46.49 170.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 10.8 ptp180 -78.01 -23.52 48.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 m -76.92 -12.9 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -80.74 -23.58 39.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -69.96 139.48 52.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -31.93 62.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.5 t -64.15 -32.11 73.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.824 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 29' ' ' ARG . . . -62.75 159.57 16.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.423 ' HG3' ' C ' ' A' ' 35' ' ' ALA . 58.1 mt-30 -148.61 173.12 13.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.634 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.7 m -36.18 -47.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -50.3 -62.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -40.18 -58.11 1.55 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.718 HD11 ' CD1' ' A' ' 18' ' ' LEU . 56.5 tp -67.82 -20.95 65.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -85.65 -11.53 53.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -87.74 -55.7 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.726 HG23 HD23 ' A' ' 44' ' ' LEU . 5.9 t -47.08 -23.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.726 HD23 HG23 ' A' ' 43' ' ' THR . 10.7 mt -99.52 -32.04 11.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -38.36 -42.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -61.4 -46.91 88.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.8 24.85 11.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.4 t -100.41 -29.86 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.843 0.354 . . . . 0.0 111.094 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' GLN . 38.7 tp -85.08 -54.13 4.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 49' ' ' LEU . 10.5 mt -35.17 -56.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.6 m -50.62 -44.19 57.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.0 mt-30 -53.87 -48.77 69.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.5 tp -40.62 -63.03 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.669 HD12 HD11 ' A' ' 62' ' ' ILE . 36.8 mt -54.09 -39.35 66.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -66.25 -24.89 66.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -79.5 -43.91 22.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.429 ' HB3' HG22 ' A' ' 127' ' ' ILE . 29.3 mt -69.79 -56.09 8.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.5 ' HB2' HG21 ' A' ' 127' ' ' ILE . 8.1 ttt85 -114.07 151.86 31.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.69 145.18 26.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 60.73 34.09 20.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 m -77.58 -45.99 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.669 HD11 HD12 ' A' ' 54' ' ' LEU . 59.6 mt -146.52 130.06 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -77.85 109.55 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.529 HD23 HD11 ' A' ' 67' ' ' ILE . 97.3 mt -49.85 -37.91 32.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 65' ' ' LYS . 11.2 mptt -62.43 -37.56 86.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -65.17 -27.94 69.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.529 HD11 HD23 ' A' ' 64' ' ' LEU . 22.9 pt -101.24 138.07 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.488 ' ND2' ' HB3' ' A' ' 71' ' ' PRO . 3.0 p-10 -71.2 89.1 0.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.85 -25.23 10.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.78 82.06 64.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.488 ' HB3' ' ND2' ' A' ' 68' ' ' ASN . 53.4 Cg_endo -69.85 -15.64 36.85 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.29 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 49.82 40.13 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.952 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.5 mmt 58.0 51.31 9.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 m -108.47 122.1 46.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -55.87 -42.03 75.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -63.61 -63.57 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.401 ' HB3' ' ND2' ' A' ' 68' ' ' ASN . 77.6 mt -54.79 -54.71 38.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 64.4 m -48.43 -55.49 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.3 mt -54.43 -45.68 73.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -57.36 -59.55 4.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.809 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' LYS . 30.0 m-20 -37.15 -59.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.5 mt -45.12 -50.44 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -55.08 -47.68 74.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 39.4 m -50.77 -37.2 40.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.464 ' CD2' ' N ' ' A' ' 86' ' ' LEU . 1.8 t80 -74.81 -60.08 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 85' ' ' PHE . 19.8 mt -42.44 -37.17 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.778 HG22 ' HG3' ' A' ' 91' ' ' GLU . 24.2 m -68.44 -50.85 49.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.087 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.98 -35.12 58.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.0 m -55.24 -14.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 91' ' ' GLU . 0.8 OUTLIER -119.07 -40.7 2.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.778 ' HG3' HG22 ' A' ' 87' ' ' THR . 12.2 mt-10 -72.04 -42.47 66.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 93.7 m -84.75 -48.88 8.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -94.01 -66.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.87 59.25 0.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 25.9 mtp -108.9 163.72 13.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.771 0.32 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.3 mmp_? -58.52 101.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.432 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 12.4 mtmm -44.15 -24.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 94.1 p -65.85 -43.25 89.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -59.4 -30.34 68.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.432 ' CD1' ' HA ' ' A' ' 97' ' ' LYS . 34.1 mt -55.97 166.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.412 ' CE1' HG13 ' A' ' 115' ' ' VAL . 28.1 p90 -103.89 164.02 11.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.456 ' N ' ' OD2' ' A' ' 105' ' ' ASP . 11.6 tt0 -70.35 153.09 43.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.6 -21.33 60.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 21.0 t80 -90.3 -51.25 5.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.456 ' OD2' ' N ' ' A' ' 102' ' ' GLU . 0.6 OUTLIER -38.15 -39.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.453 HD13 HG11 ' A' ' 115' ' ' VAL . 18.0 tp -77.82 -49.38 14.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -53.78 -58.35 7.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -79.25 2.89 19.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.1 t 50.33 35.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -56.44 -67.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -130.53 92.45 3.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 116' ' ' ILE . 13.9 t80 -62.13 -33.41 74.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -47.53 -36.15 11.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -68.1 -35.37 78.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.453 HG11 HD13 ' A' ' 106' ' ' LEU . 11.1 t -72.31 -36.67 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 112' ' ' PHE . 57.6 mt -65.64 -53.59 37.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -45.71 -50.69 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.5 m -44.96 -46.08 10.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.15 -36.72 82.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.529 ' HA ' ' CD2' ' A' ' 136' ' ' PHE . 3.9 p -54.07 -40.32 67.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -80.92 -48.95 11.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.539 ' O ' HG23 ' A' ' 125' ' ' THR . 9.7 tp -40.07 -51.34 2.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.586 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 94.5 p -42.7 -41.45 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -45.06 -41.15 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 122' ' ' LEU . 77.6 p -40.08 147.33 0.36 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.545 0.688 . . . . 0.0 111.129 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -0.55 7.02 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.71 2.274 . . . . 0.0 112.346 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.5 HG21 ' HB2' ' A' ' 58' ' ' ARG . 4.7 mp -94.99 -35.75 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -74.2 -44.84 51.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 42.7 mt -69.36 -39.1 78.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.52 -49.23 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.0 p -57.24 -36.67 71.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.74 22.34 21.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.682 HG23 ' HB3' ' A' ' 20' ' ' HIS . 55.7 mt -81.91 143.73 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 135' ' ' PRO . 22.8 mmm180 -41.14 101.75 0.25 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 53.7 Cg_endo -69.75 168.66 20.91 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.354 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.529 ' CD2' ' HA ' ' A' ' 120' ' ' SER . 27.3 m-85 -74.22 146.99 85.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.655 0.74 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 82.63 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 44.3 t -157.45 121.19 4.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -118.44 168.38 13.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -3.83 12.82 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 69.4 m -79.82 116.57 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.839 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.5 t -131.16 -50.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.4 m -96.38 132.01 42.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -78.0 -47.01 19.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.69 -78.4 0.88 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -135.0 102.8 5.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.887 0.375 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -118.33 122.07 41.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.47 -68.99 0.1 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.0 tpp -130.28 122.71 28.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.741 0.305 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.86 160.52 68.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -16.94 38.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.772 ' CD1' HG13 ' A' ' 37' ' ' VAL . 5.9 p-90 -82.21 -36.61 27.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -52.47 -49.39 64.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -69.68 -43.47 72.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.3 t -47.71 -39.88 18.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -47.8 -46.12 30.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -55.33 -64.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.54 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 36.2 t90 -39.27 -44.03 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.899 ' O ' HG22 ' A' ' 23' ' ' VAL . 27.4 mt -58.38 -48.92 79.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.402 HG21 ' HA ' ' A' ' 26' ' ' THR . 66.7 mt -57.27 -43.82 82.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.571 ' HB3' HG23 ' A' ' 133' ' ' ILE . 22.6 m-70 -71.22 -31.43 67.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.54 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 56.2 m -69.6 -1.84 9.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.1 mmtt 68.9 49.26 0.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.899 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.0 m -127.24 -29.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.644 HD22 ' NE2' ' A' ' 28' ' ' HIS . 82.5 mt -131.31 150.92 77.82 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.475 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.77 147.13 62.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.402 ' HA ' HG21 ' A' ' 19' ' ' ILE . 62.0 p -59.57 -25.58 64.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -110.22 25.45 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.644 ' NE2' HD22 ' A' ' 24' ' ' LEU . 9.3 t60 -52.31 -179.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -84.0 -40.37 18.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.425 HG22 ' HD2' ' A' ' 28' ' ' HIS . 16.3 m -55.05 -26.33 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.7 p -68.05 -30.53 69.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -63.26 125.3 23.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -42.7 -35.26 1.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.4 t -60.18 -40.31 89.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . . . -45.99 157.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.075 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' VAL . 40.2 mt-30 -144.51 163.41 33.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.772 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.4 m -36.14 -47.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.478 ' CE1' HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -51.7 -60.48 3.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -42.28 -58.74 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 18' ' ' LEU . 39.9 tp -64.39 -20.19 65.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -84.48 -20.68 31.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -81.23 -46.29 15.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.434 HG23 ' HG ' ' A' ' 44' ' ' LEU . 5.8 t -54.87 -20.75 9.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' ARG . 15.1 mt -106.4 -32.26 8.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 44' ' ' LEU . 19.1 ttt180 -35.63 -48.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.89 -53.35 53.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.98 20.49 10.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 69' ' ' LEU . 98.4 t -95.75 -28.93 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 111.149 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.2 tp -85.45 -54.88 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' LEU . 13.0 mt -34.6 -59.4 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.454 ' HA ' HD12 ' A' ' 62' ' ' ILE . 54.8 m -47.23 -41.88 19.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' LEU . 25.1 mt-30 -57.53 -51.53 69.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' GLN . 46.3 tp -35.66 -57.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.679 HD22 ' CE1' ' A' ' 93' ' ' PHE . 74.9 mt -60.43 -43.33 96.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -60.28 -21.92 62.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -81.26 -41.76 21.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.5 mt -73.29 -54.27 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.58 ' HB2' HG21 ' A' ' 127' ' ' ILE . 10.4 ttt85 -116.67 152.78 33.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.14 148.55 25.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.8 m170 57.43 33.38 23.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.6 m -75.17 -41.81 57.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.6 HD11 HD12 ' A' ' 54' ' ' LEU . 57.0 mt -148.98 133.28 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' GLU . 46.3 t-20 -80.84 101.94 9.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.2 mt -42.42 -34.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -66.82 -38.41 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 63' ' ' ASN . 16.6 mt-10 -66.11 -16.89 64.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.582 ' CG2' HG21 ' A' ' 84' ' ' THR . 28.1 pt -114.63 141.35 31.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -75.82 91.87 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.417 ' O ' HG21 ' A' ' 48' ' ' VAL . 38.4 mt -52.83 -35.68 57.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -122.78 82.0 49.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -12.69 33.25 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.331 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 54.12 39.21 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 19.9 mmt 62.07 50.26 4.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -105.87 126.49 52.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.48 ' HG2' HD12 ' A' ' 79' ' ' LEU . 34.0 tt0 -62.92 -38.41 90.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -69.46 -53.4 19.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.0 -45.29 94.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 41.1 m -60.32 -63.61 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.48 HD12 ' HG2' ' A' ' 75' ' ' GLN . 18.4 mt -43.12 -49.51 6.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -51.19 70.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -45.57 -60.59 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 68.3 mt -42.88 -47.97 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.4 ' HA ' HD12 ' A' ' 86' ' ' LEU . 14.2 mtt-85 -59.36 -43.81 92.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.582 HG21 ' CG2' ' A' ' 67' ' ' ILE . 62.2 m -51.87 -38.08 54.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -71.37 -52.32 19.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 83' ' ' ARG . 25.7 mt -51.24 -30.2 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.543 HG22 ' HG3' ' A' ' 91' ' ' GLU . 30.4 m -67.87 -52.35 37.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.42 -34.02 66.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.9 m -61.56 -13.29 20.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.562 ' SG ' HD11 ' A' ' 100' ' ' LEU . 98.5 m -118.65 -23.82 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.543 ' HG3' HG22 ' A' ' 87' ' ' THR . 5.2 mm-40 -93.69 -55.76 3.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.3 m -66.79 -59.89 3.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.679 ' CE1' HD22 ' A' ' 54' ' ' LEU . 38.1 m-85 -85.2 -62.1 1.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.77 66.48 0.67 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 53.7 mtp -106.88 177.81 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.745 0.307 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -77.89 116.32 18.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -57.72 -31.77 66.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.9 m -66.9 -18.21 65.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -87.72 -37.23 16.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.562 HD11 ' SG ' ' A' ' 90' ' ' CYS . 47.2 mt -51.64 158.79 0.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.447 ' CD2' HG22 ' A' ' 115' ' ' VAL . 34.4 p90 -91.59 159.79 15.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -66.07 -178.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -94.63 -38.73 10.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.642 ' CZ ' ' CG ' ' A' ' 108' ' ' ASP . 8.8 t80 -74.47 -45.55 45.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' PHE . 3.3 p-10 -37.42 -41.55 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.8 tp -83.95 -52.01 6.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -46.64 -58.13 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.642 ' CG ' ' CZ ' ' A' ' 104' ' ' PHE . 1.2 m-20 -85.2 18.12 2.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.478 HG21 ' CE1' ' A' ' 38' ' ' PHE . 3.6 t 35.41 41.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.409 ' NE ' ' HB3' ' A' ' 108' ' ' ASP . 1.3 mmp_? -69.43 -68.7 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -119.21 84.76 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -65.05 -37.32 87.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -47.81 -39.01 16.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -61.67 -35.73 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.447 HG22 ' CD2' ' A' ' 101' ' ' PHE . 38.5 t -72.34 -39.35 63.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 44.8 mt -58.24 -51.21 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.34 -40.82 75.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.0 m -45.79 -37.34 5.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 120' ' ' SER . 40.5 mt -73.99 -47.84 34.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.462 ' HA ' ' CG ' ' A' ' 136' ' ' PHE . 8.6 t -34.87 -46.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.498 ' O ' ' CD ' ' A' ' 124' ' ' ARG . 62.8 mtt-85 -72.69 -59.68 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 2.8 tp -42.04 -25.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 121' ' ' ARG . 3.8 p -79.6 15.55 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.498 ' CD ' ' O ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -110.41 -17.83 13.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.486 HG22 ' HE ' ' A' ' 124' ' ' ARG . 78.0 p -60.35 153.48 58.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 111.152 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.65 3.71 2.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.58 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.4 mp -107.18 -30.65 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.01 -37.08 55.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 132' ' ' GLY . 37.9 mt -78.07 -40.84 37.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -39.11 -38.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.7 p -64.82 -39.38 93.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 96.23 28.52 9.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.446 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.571 HG23 ' HB3' ' A' ' 20' ' ' HIS . 30.2 mt -87.67 139.55 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 133' ' ' ILE . 89.8 mtt180 -34.13 97.11 0.11 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.568 0.699 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 133' ' ' ILE . 54.2 Cg_endo -69.73 146.92 61.83 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.739 2.293 . . . . 0.0 112.355 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.462 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 11.4 m-85 -59.2 148.22 72.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.659 0.742 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 174.55 9.37 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.2 t -67.55 85.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -75.37 170.19 54.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 122.83 9.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 11.3 t -160.84 117.58 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 37.8 m -68.23 172.52 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t 62.34 30.39 17.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.903 0.382 . . . . 0.0 110.877 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.2 p -111.59 114.26 27.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.04 -111.08 0.33 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.7 t 43.48 44.11 4.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.855 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 p -86.79 171.24 11.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.71 -125.11 28.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 tpp -107.69 139.22 42.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.735 0.303 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -53.97 147.42 24.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -15.44 37.14 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.629 2.219 . . . . 0.0 112.319 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.533 ' CD1' HG13 ' A' ' 37' ' ' VAL . 5.6 p-90 -88.87 -37.08 15.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 3.8 mmmp? -55.54 -47.57 76.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -70.52 -47.81 58.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.1 t -41.31 -42.16 2.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.674 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -45.73 -49.61 14.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -51.93 -61.79 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.534 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 29.2 t90 -46.21 -40.53 11.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.864 ' O ' HG22 ' A' ' 23' ' ' VAL . 20.6 mt -63.03 -49.55 74.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.2 mt -57.45 -38.09 61.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.492 ' HB3' HG23 ' A' ' 133' ' ' ILE . 19.2 m-70 -78.54 -29.57 46.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.534 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 52.4 m -71.49 0.88 7.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm 67.57 48.98 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.864 HG22 ' O ' ' A' ' 18' ' ' LEU . 33.8 m -127.97 -30.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.881 HD22 ' CE1' ' A' ' 28' ' ' HIS . 86.8 mt -129.79 148.03 67.83 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.625 0.726 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 54.1 Cg_endo -69.73 158.29 57.49 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.694 2.262 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.1 p -69.32 -23.5 63.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -111.14 22.04 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.881 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.4 t-80 -48.94 178.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.27 -6.9 43.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.493 HG13 ' ND1' ' A' ' 28' ' ' HIS . 12.2 m -87.15 -12.81 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.4 p -84.58 -21.61 30.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.43 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 16.3 m95 -66.66 130.09 42.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -45.05 -52.25 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 p -47.79 -34.87 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 32' ' ' TRP . . . -46.47 160.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.08 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HG3' ' C ' ' A' ' 35' ' ' ALA . 52.6 mt-30 -147.33 163.1 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.533 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.8 m -37.25 -48.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.487 ' O ' ' N ' ' A' ' 41' ' ' ALA . 12.1 t80 -47.58 -62.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' PHE . 1.4 m-20 -36.04 -58.91 0.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.49 HD11 HD13 ' A' ' 18' ' ' LEU . 62.4 tp -66.52 -29.59 69.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -74.57 -20.65 59.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.091 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.487 ' OE1' ' CE2' ' A' ' 38' ' ' PHE . 22.5 mt-30 -78.99 -61.35 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.431 HG23 ' HG ' ' A' ' 44' ' ' LEU . 4.1 t -43.28 -23.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.132 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 49' ' ' LEU . 12.5 mt -105.92 -26.55 11.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 34.8 ttt180 -43.52 -36.53 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -67.81 -55.73 11.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.15 32.88 2.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.482 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.3 t -106.43 -30.63 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 52' ' ' GLN . 17.6 tp -85.52 -54.34 4.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.6 mt -34.36 -58.58 0.47 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.412 ' SG ' HG21 ' A' ' 67' ' ' ILE . 85.4 m -48.87 -41.97 35.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' LEU . 23.4 mt-30 -58.2 -52.18 66.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' GLN . 58.4 tp -34.22 -65.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.7 HD12 HD11 ' A' ' 62' ' ' ILE . 59.8 mt -53.97 -46.83 71.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 73.9 m-20 -55.46 -30.77 61.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -74.83 -43.77 52.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.45 ' HB3' HG22 ' A' ' 127' ' ' ILE . 31.1 mt -67.68 -58.34 4.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.545 ' HB2' HG21 ' A' ' 127' ' ' ILE . 11.4 ttt85 -113.86 157.98 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.8 144.56 25.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 62.26 33.76 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -79.57 -45.19 19.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.7 HD11 HD12 ' A' ' 54' ' ' LEU . 65.9 mt -148.56 128.98 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -82.0 114.61 20.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.495 HD23 HD11 ' A' ' 67' ' ' ILE . 95.9 mt -52.57 -36.49 55.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -63.49 -36.86 85.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.62 -26.51 67.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.495 HD11 HD23 ' A' ' 64' ' ' LEU . 21.3 pt -102.58 138.92 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.539 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 0.3 OUTLIER -68.1 89.24 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.0 mt -47.14 -29.19 2.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -119.96 80.88 26.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.621 0.724 . . . . 0.0 110.845 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 72' ' ' GLN . 54.0 Cg_endo -69.79 -6.1 17.8 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 73' ' ' MET . 54.8 mt-30 36.02 54.59 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 72' ' ' GLN . 0.0 OUTLIER 34.83 49.37 0.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.1 m -94.14 177.82 5.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 27.3 tt0 -100.42 -36.97 9.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -80.32 -58.75 2.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.3 mt -52.29 -54.42 31.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.6 m -50.7 -66.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.2 mt -49.18 -39.57 29.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -56.9 15.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.457 ' ND2' ' OD1' ' A' ' 68' ' ' ASN . 40.4 m-20 -49.2 -63.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.643 ' CD1' HD23 ' A' ' 106' ' ' LEU . 85.0 mt -36.84 -58.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.181 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -43.68 -48.96 7.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.9 m -46.22 -44.96 16.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.25 -55.74 25.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.96 -28.46 16.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.55 HG22 ' HG3' ' A' ' 91' ' ' GLU . 37.2 m -73.75 -49.17 26.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.18 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.1 -32.88 71.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.78 -22.71 62.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.9 t -110.32 -22.27 11.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.55 ' HG3' HG22 ' A' ' 87' ' ' THR . 30.4 mm-40 -92.13 -54.43 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.1 m -75.05 -46.55 34.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.482 ' CE2' HD11 ' A' ' 122' ' ' LEU . 9.5 m-85 -93.23 -70.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 116.81 53.59 0.33 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.577 ' HE2' HD13 ' A' ' 122' ' ' LEU . 15.3 mtm -100.94 159.21 15.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.327 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -67.71 129.71 40.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.447 ' HD2' HD12 ' A' ' 100' ' ' LEU . 12.2 tptm -63.64 -32.52 74.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.5 m -66.71 -17.45 64.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -87.31 -35.38 18.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.447 HD12 ' HD2' ' A' ' 97' ' ' LYS . 26.7 mt -57.96 176.03 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.716 ' CE2' HG13 ' A' ' 115' ' ' VAL . 38.7 p90 -104.91 169.02 8.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 103' ' ' ALA . 13.1 tp10 -85.62 120.11 26.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 102' ' ' GLU . . . -34.5 -47.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.078 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 105' ' ' ASP . 13.2 t80 -59.34 -56.73 18.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 104' ' ' PHE . 55.7 m-20 -34.79 -38.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.643 HD23 ' CD1' ' A' ' 82' ' ' ILE . 16.5 tp -79.99 -56.46 4.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 9.9 t80 -48.18 -67.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -69.59 -10.62 58.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 109' ' ' VAL . 40.0 t 62.0 48.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -71.7 -63.78 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -130.41 100.02 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.632 ' CD2' HD11 ' A' ' 116' ' ' ILE . 29.5 t80 -68.83 -43.15 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.34 -33.02 1.93 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -66.73 -37.52 84.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.716 HG13 ' CE2' ' A' ' 101' ' ' PHE . 41.2 t -73.47 -37.9 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.632 HD11 ' CD2' ' A' ' 112' ' ' PHE . 56.4 mt -62.36 -46.09 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 118' ' ' THR . 8.9 tp10 -51.73 -56.99 10.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 117' ' ' GLU . 59.8 m -36.19 -47.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.462 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 14.1 mt -67.82 -48.94 64.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.577 ' HA ' ' CD1' ' A' ' 136' ' ' PHE . 62.4 m -43.15 -42.9 4.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 4.1 ptp180 -83.37 -45.8 13.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.668 ' O ' HG23 ' A' ' 125' ' ' THR . 16.3 tp -40.08 -45.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.476 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 84.1 p -44.63 -43.31 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 125' ' ' THR . 0.4 OUTLIER -42.01 -38.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 122' ' ' LEU . 60.3 p -44.82 148.94 0.87 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 111.148 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.451 ' O ' ' HB2' ' A' ' 130' ' ' ALA . 53.5 Cg_endo -69.83 1.56 4.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.313 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.545 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.4 mp -95.33 -48.54 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -61.29 -47.36 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 29.7 mt -68.29 -36.26 79.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 126' ' ' PRO . . . -45.76 -49.24 15.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.7 p -56.79 -36.59 70.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 97.86 22.57 15.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.492 HG23 ' HB3' ' A' ' 20' ' ' HIS . 63.4 mt -81.57 145.51 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 111.138 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 44.3 mmt-85 -47.87 107.55 0.76 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.563 0.697 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 140.94 43.97 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.358 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 120' ' ' SER . 46.3 m-85 -44.32 153.79 0.43 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.63 0.728 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.18 53.22 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.24 . . . . 0.0 112.34 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.1 t -125.3 125.73 43.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -169.86 179.4 42.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 85.45 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.1 t -98.45 161.11 13.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.3 p -48.28 136.85 11.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -69.71 90.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p -86.98 120.06 27.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.64 -103.18 0.88 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t 65.24 46.35 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.93 0.395 . . . . 0.0 110.843 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -120.26 82.08 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.72 -48.94 4.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.442 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.2 tpt -91.07 120.4 32.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.696 0.284 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.589 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 0.4 OUTLIER -58.16 157.87 15.44 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.664 0.745 . . . . 0.0 110.865 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -34.52 14.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.742 2.294 . . . . 0.0 112.324 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.658 ' CD1' HG13 ' A' ' 37' ' ' VAL . 48.1 p-90 -72.09 -42.55 66.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.593 ' HE2' ' CH2' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -34.21 -56.3 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -68.48 -42.47 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.0 t -45.23 -50.62 11.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -38.46 -51.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -47.67 -63.66 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.545 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 20.6 t90 -44.75 -47.95 10.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.931 ' O ' HG22 ' A' ' 23' ' ' VAL . 27.3 mt -55.95 -51.7 66.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.6 mt -55.21 -42.64 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.437 ' HB3' HG23 ' A' ' 133' ' ' ILE . 14.7 m-70 -74.84 -27.95 60.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 61.9 m -73.65 3.31 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp 65.7 45.06 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.931 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.8 m -123.25 -28.27 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.89 HD22 ' NE2' ' A' ' 28' ' ' HIS . 85.3 mt -134.48 151.49 76.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.73 168.55 21.2 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.405 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.5 p -76.24 -30.33 57.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -106.23 23.37 14.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.89 ' NE2' HD22 ' A' ' 24' ' ' LEU . 4.6 t60 -48.55 169.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . 4.8 ptp180 -74.91 -45.97 39.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.512 HG22 ' HD2' ' A' ' 28' ' ' HIS . 26.7 m -48.61 -37.0 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.3 p -53.62 -47.44 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -53.35 126.04 19.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.12 -52.24 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.3 m -38.87 -40.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.409 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -53.58 161.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.095 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' VAL . 63.6 mt-30 -149.15 164.2 35.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.658 HG13 ' CD1' ' A' ' 11' ' ' TRP . 1.8 m -33.79 -48.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.98 -61.33 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -42.75 -60.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.435 ' O ' HG22 ' A' ' 43' ' ' THR . 46.8 tp -59.62 -29.73 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.91 -26.85 60.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' LEU . 26.5 mt-30 -74.3 -59.42 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.71 HG23 ' HG ' ' A' ' 44' ' ' LEU . 14.6 t -42.62 -24.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.71 ' HG ' HG23 ' A' ' 43' ' ' THR . 6.4 mt -104.81 -31.76 9.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 44' ' ' LEU . 12.8 ttt180 -36.46 -43.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -58.0 -50.44 73.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.15 26.35 7.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.465 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.1 t -101.72 -33.61 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.425 ' HB3' HD23 ' A' ' 44' ' ' LEU . 22.8 tp -81.85 -45.36 15.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -40.89 -57.99 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.628 ' SG ' HG21 ' A' ' 67' ' ' ILE . 68.9 m -50.22 -43.09 52.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -56.02 -46.36 78.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.0 tp -41.18 -64.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.561 HD12 HD11 ' A' ' 62' ' ' ILE . 46.7 mt -55.6 -45.85 77.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -56.79 -29.31 62.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -75.95 -44.82 38.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.573 ' HB3' HG22 ' A' ' 127' ' ' ILE . 22.9 mt -67.74 -56.41 9.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.732 ' HB2' HG21 ' A' ' 127' ' ' ILE . 12.6 ttt-85 -114.24 158.99 20.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.08 143.91 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 62.24 34.87 15.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.9 m -78.82 -42.4 27.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.561 HD11 HD12 ' A' ' 54' ' ' LEU . 58.8 mt -151.73 128.1 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -78.06 108.22 11.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.416 HD23 HD11 ' A' ' 67' ' ' ILE . 49.9 mt -45.34 -37.81 5.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -61.49 -38.18 86.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -64.52 -26.89 68.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.628 HG21 ' SG ' ' A' ' 51' ' ' CYS . 22.8 pt -100.65 137.69 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -70.85 87.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.5 mt -47.16 -29.44 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.32 81.52 22.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -16.79 37.71 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.383 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 50.27 40.85 23.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 29.6 mmt 47.97 42.56 16.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.1 m -87.53 176.87 7.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 11.3 tt0 -102.86 -51.44 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -65.06 -44.3 89.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.2 mt -67.18 -57.84 5.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.9 m -49.42 -59.72 3.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.4 mt -46.71 -47.37 20.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -60.16 4.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -38.48 -61.61 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 71.2 mt -41.05 -53.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.115 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -51.86 -51.59 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.8 m -42.5 -45.07 4.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 86' ' ' LEU . 2.4 t80 -64.22 -57.34 9.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.427 HD21 ' CE1' ' A' ' 101' ' ' PHE . 18.2 mt -50.3 -29.93 10.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.57 HG22 ' HG3' ' A' ' 91' ' ' GLU . 24.7 m -70.14 -48.27 58.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.09 -36.35 74.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.66 -16.6 27.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.3 t -113.84 -27.81 7.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.57 ' HG3' HG22 ' A' ' 87' ' ' THR . 20.0 mm-40 -90.71 -52.87 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.5 m -72.08 -50.52 27.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.459 ' CE2' HD11 ' A' ' 122' ' ' LEU . 15.8 m-85 -85.94 -65.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 119.61 37.39 0.78 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 14.4 mtm -95.01 159.14 15.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -69.46 -178.26 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.691 ' HD2' HD12 ' A' ' 100' ' ' LEU . 17.3 tptm -110.19 -27.39 9.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.0 t -58.77 -23.81 60.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -92.19 -27.43 17.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.691 HD12 ' HD2' ' A' ' 97' ' ' LYS . 97.2 mt -63.65 169.67 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.54 ' CD2' HG22 ' A' ' 115' ' ' VAL . 39.4 p90 -111.05 154.5 24.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -61.58 175.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.27 -33.71 14.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.433 ' O ' ' C ' ' A' ' 105' ' ' ASP . 27.7 t80 -75.71 -54.16 7.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 104' ' ' PHE . 30.1 p-10 -34.37 -41.64 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.482 HD13 HG21 ' A' ' 115' ' ' VAL . 11.2 tp -79.1 -44.55 21.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 29.1 t80 -55.02 -52.78 62.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.88 16.78 8.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 109' ' ' VAL . 43.6 t 41.87 36.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -59.18 -54.56 45.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -143.21 114.48 7.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.498 ' CD2' HD11 ' A' ' 116' ' ' ILE . 24.5 t80 -84.41 -40.39 17.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.88 -34.06 2.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.458 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -69.09 -38.6 79.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.54 HG22 ' CD2' ' A' ' 101' ' ' PHE . 40.3 t -69.75 -40.44 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.498 HD11 ' CD2' ' A' ' 112' ' ' PHE . 57.6 mt -58.11 -52.57 56.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -47.36 -45.4 24.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.4 m -48.08 -48.3 33.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.28 -43.62 92.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.4 t -51.35 -42.59 61.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -75.27 -30.16 60.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.501 ' O ' HG23 ' A' ' 125' ' ' THR . 24.8 tp -69.14 -54.12 16.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.619 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 28.9 p -43.06 -44.75 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -46.34 -41.3 13.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 122' ' ' LEU . 62.4 p -40.54 150.63 0.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.583 0.706 . . . . 0.0 111.173 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.96 22.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.732 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -86.3 -40.05 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -69.45 -43.94 72.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 43.7 mt -70.34 -36.43 74.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.48 -47.98 5.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.3 p -56.47 -36.17 68.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 98.96 23.3 11.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.437 HG23 ' HB3' ' A' ' 20' ' ' HIS . 56.0 mt -84.45 137.69 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 111.156 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -47.91 115.84 4.24 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.623 0.725 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 140.63 43.17 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.347 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.495 ' CG ' ' O ' ' A' ' 136' ' ' PHE . 3.0 p90 -132.44 121.19 17.28 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.677 0.751 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -165.85 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.1 t -76.04 -59.11 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -126.52 178.92 16.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 1.85 4.1 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.267 . . . . 0.0 112.305 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 33.4 m -103.09 148.03 26.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.5 t -122.24 -44.11 2.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 m -90.47 152.61 20.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -75.54 143.56 42.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.37 99.72 0.19 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -72.49 135.02 45.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -170.59 115.13 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.08 -168.68 18.17 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.539 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.9 ttp -94.08 95.1 8.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.744 0.307 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.588 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 4.1 mm-40 -47.62 161.9 0.32 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.682 0.753 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -44.29 2.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.258 . . . . 0.0 112.327 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.679 ' CD1' HG13 ' A' ' 37' ' ' VAL . 37.7 p-90 -63.16 -37.58 87.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.597 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 4.8 mmpt? -34.76 -68.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -55.79 -45.55 78.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.3 t -45.74 -49.05 15.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -41.3 -50.47 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -52.04 -62.22 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.531 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 30.7 t90 -45.06 -44.67 10.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.847 ' O ' HG22 ' A' ' 23' ' ' VAL . 64.6 mt -56.59 -54.35 46.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.3 mt -52.91 -44.76 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -69.57 -33.12 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.531 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 74.7 m -68.9 -3.46 12.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt 70.69 48.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.847 HG22 ' O ' ' A' ' 18' ' ' LEU . 30.6 m -124.46 -29.51 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.847 HD22 ' CE1' ' A' ' 28' ' ' HIS . 51.2 mt -133.32 151.66 77.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.494 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.4 Cg_endo -69.75 171.45 14.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.691 2.26 . . . . 0.0 112.322 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.9 p -79.91 -24.04 41.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -110.29 23.35 14.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.847 ' CE1' HD22 ' A' ' 24' ' ' LEU . 1.9 t-80 -52.61 173.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -80.53 -41.58 23.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.4 m -50.87 -38.2 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.4 p -56.95 -43.88 82.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -50.93 134.13 26.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -53.63 -45.81 70.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.0 p -50.31 -24.82 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.52 157.35 36.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' VAL . 33.2 mt-30 -141.46 165.4 27.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.679 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.2 m -34.9 -45.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.536 ' CE2' ' OE1' ' A' ' 42' ' ' GLN . 11.4 t80 -48.39 -62.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -39.69 -55.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' A' ' 18' ' ' LEU . 64.3 tp -66.34 -23.85 66.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -81.9 -23.55 36.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.536 ' OE1' ' CE2' ' A' ' 38' ' ' PHE . 22.7 mt-30 -75.97 -49.67 17.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.403 HG23 ' HG ' ' A' ' 44' ' ' LEU . 5.3 t -54.83 -25.15 26.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' ARG . 14.4 mt -103.64 -28.41 11.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' LEU . 30.2 ttt180 -37.68 -41.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -63.96 -54.93 26.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.93 25.72 5.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.695 HG13 HD23 ' A' ' 69' ' ' LEU . 96.6 t -99.7 -37.49 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.119 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.9 tp -78.62 -46.38 19.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.8 mt -41.76 -46.72 3.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.413 ' HA ' HD12 ' A' ' 62' ' ' ILE . 52.7 m -61.79 -41.06 97.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 53' ' ' LEU . 25.1 mt-30 -56.68 -49.29 75.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' GLN . 35.7 tp -37.43 -61.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.601 HD12 HD11 ' A' ' 62' ' ' ILE . 78.7 mt -56.3 -40.27 74.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.07 -24.19 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -79.26 -44.78 21.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.449 ' HB3' HG22 ' A' ' 127' ' ' ILE . 21.4 mt -72.56 -54.51 8.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.786 ' HB2' HG21 ' A' ' 127' ' ' ILE . 1.7 ttp180 -111.47 162.48 15.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.65 143.6 29.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 63.56 25.53 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -70.1 -40.92 74.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.601 HD11 HD12 ' A' ' 54' ' ' LEU . 52.7 mt -152.42 127.43 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 66' ' ' GLU . 52.0 t-20 -80.46 109.94 15.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.0 mt -44.17 -33.51 1.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -66.23 -37.04 84.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' ASN . 8.3 mt-10 -66.15 -17.13 64.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.48 ' CG2' HG21 ' A' ' 84' ' ' THR . 24.2 pt -113.35 128.75 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -67.45 107.52 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.695 HD23 HG13 ' A' ' 48' ' ' VAL . 29.0 mt -83.15 136.29 34.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.449 ' N ' ' CD ' ' A' ' 71' ' ' PRO . 31.5 ttm-85 73.56 54.3 0.28 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.638 0.733 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 70' ' ' ARG . 53.7 Cg_endo -69.79 2.9 3.13 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 44.76 44.09 7.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.492 ' N ' ' SD ' ' A' ' 73' ' ' MET . 0.0 OUTLIER 49.8 46.17 24.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.1 t -83.38 -179.91 7.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.585 ' O ' HD12 ' A' ' 79' ' ' LEU . 55.7 tt0 -103.68 -40.39 6.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -77.98 -41.61 35.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.18 -64.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 68.9 m -43.65 -61.03 1.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' ' 75' ' ' GLN . 16.5 mt -43.3 -61.76 1.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -48.79 -58.4 4.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -38.51 -62.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.564 HG21 ' HA ' ' A' ' 103' ' ' ALA . 55.9 mt -39.81 -62.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.464 ' HA ' HD12 ' A' ' 86' ' ' LEU . 44.1 mtt180 -37.75 -49.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.48 HG21 ' CG2' ' A' ' 67' ' ' ILE . 51.8 m -45.9 -61.74 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -49.11 -50.68 36.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 83' ' ' ARG . 19.5 mt -56.8 -34.42 67.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.1 m -69.4 -46.96 65.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.48 -35.85 74.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.9 m -60.75 -14.72 23.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 45.3 t -113.44 -22.17 10.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -94.85 -55.07 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.468 ' CG2' ' HD3' ' A' ' 58' ' ' ARG . 87.8 m -70.8 -50.94 30.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.514 ' CE2' HD11 ' A' ' 122' ' ' LEU . 6.2 m-85 -92.27 -68.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.93 61.47 0.43 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 59.3 mtp -102.71 166.74 10.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -73.87 119.11 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -48.06 -35.22 10.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.6 t -64.19 -31.5 72.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -69.68 -38.16 76.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.43 177.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.534 ' CE2' HG13 ' A' ' 115' ' ' VAL . 51.6 p90 -112.32 166.93 10.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -80.73 132.59 35.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.564 ' HA ' HG21 ' A' ' 82' ' ' ILE . . . -46.58 -38.16 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' ASP . 17.8 t80 -68.01 -60.79 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 104' ' ' PHE . 7.5 m-20 -34.47 -42.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.514 HD23 HG12 ' A' ' 82' ' ' ILE . 13.4 tp -74.33 -47.36 34.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' PHE . 9.0 t80 -59.18 -58.5 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -78.28 7.55 6.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 109' ' ' VAL . 20.2 t 40.81 47.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.449 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 12.4 mtp-105 -73.03 -58.88 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -131.21 95.24 3.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -68.14 -41.15 82.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.62 -36.1 1.55 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -64.87 -38.66 91.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.534 HG13 ' CE2' ' A' ' 101' ' ' PHE . 44.2 t -71.17 -36.33 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 50.8 mt -62.49 -53.44 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -51.23 -51.69 51.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 55.9 m -38.09 -48.52 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.5 mt -63.87 -47.44 80.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.403 ' HA ' ' CD2' ' A' ' 136' ' ' PHE . 43.0 t -45.37 -38.79 6.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 122' ' ' LEU . 89.1 mtt180 -79.77 -57.33 3.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.573 ' O ' HG23 ' A' ' 125' ' ' THR . 14.4 tp -36.02 -45.08 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 78.7 p -44.48 -47.29 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.416 ' C ' ' HD3' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -42.23 -36.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 122' ' ' LEU . 70.1 p -47.28 146.69 3.03 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.616 0.722 . . . . 0.0 111.147 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 0.66 5.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.786 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.2 mp -95.48 -38.89 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -72.04 -48.21 46.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.3 mt -65.54 -35.62 81.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.3 -51.77 6.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 29.5 p -53.87 -37.67 63.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 101.66 19.31 15.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 71.3 mt -76.67 135.74 26.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 0.0 111.15 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -44.06 121.73 3.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 141.89 46.65 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.612 ' CB ' ' CD ' ' A' ' 137' ' ' PRO . 2.3 m-85 -43.77 -69.02 0.24 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.731 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.612 ' CD ' ' CB ' ' A' ' 136' ' ' PHE . 53.7 Cg_endo -69.76 -168.88 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 33.0 p -58.71 -57.7 11.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 147.74 -171.18 28.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.456 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.47 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.365 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.8 t 61.41 43.58 10.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 78.9 p -120.86 -53.01 2.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.957 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.7 m -99.97 -55.73 2.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 110.804 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -58.39 -56.79 17.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.84 97.04 1.64 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -52.16 139.23 24.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 m -122.16 113.29 19.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.04 -91.22 0.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.428 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 tpp -141.63 130.62 23.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.717 0.294 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' HB2' ' CG ' ' A' ' 12' ' ' LYS . 36.4 mm-40 -54.82 154.33 9.71 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.627 0.727 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -31.61 19.95 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.653 2.235 . . . . 0.0 112.317 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.579 ' CZ2' ' HE3' ' A' ' 12' ' ' LYS . 12.5 p-90 -76.87 -48.78 17.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.579 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 2.4 mmpt? -39.01 -58.07 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.495 ' OE1' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -65.72 -34.44 78.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.495 ' N ' ' OE1' ' A' ' 13' ' ' GLN . 36.6 t -53.64 -44.25 69.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.79 -48.18 10.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -49.21 -58.26 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.505 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 22.0 t90 -48.83 -46.33 41.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.763 ' O ' HG22 ' A' ' 23' ' ' VAL . 85.7 mt -55.57 -52.86 62.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.1 mt -52.73 -42.97 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.08 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.536 ' HB3' HG23 ' A' ' 133' ' ' ILE . 10.5 m-70 -71.24 -36.81 71.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.505 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 88.9 m -66.75 -4.35 8.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt 70.38 49.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 18' ' ' LEU . 21.6 m -125.47 -27.35 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.089 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.994 HD22 ' CE1' ' A' ' 28' ' ' HIS . 92.0 mt -132.28 147.74 66.92 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 0.0 110.942 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.48 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.9 Cg_endo -69.75 161.89 44.19 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.741 2.294 . . . . 0.0 112.35 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.8 p -70.06 -31.23 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -105.23 24.96 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.994 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.0 t-160 -51.58 173.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -83.08 -39.5 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.47 -33.08 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.8 p -59.47 -46.43 88.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -52.37 134.17 34.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.86 -50.33 26.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 m -40.34 -35.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.89 166.01 2.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 37' ' ' VAL . 81.3 mt-30 -152.09 165.26 35.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 36' ' ' GLN . 1.9 m -33.87 -44.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.54 ' CZ ' ' CD ' ' A' ' 42' ' ' GLN . 11.6 t80 -52.35 -62.29 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 38' ' ' PHE . 3.7 t0 -36.77 -59.15 0.7 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.59 HD11 ' CD1' ' A' ' 18' ' ' LEU . 43.3 tp -61.76 -32.42 72.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.603 ' HB1' HG13 ' A' ' 109' ' ' VAL . . . -74.33 -22.85 59.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.052 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.54 ' CD ' ' CZ ' ' A' ' 38' ' ' PHE . 24.7 mt-30 -78.25 -57.25 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.2 t -47.14 -23.02 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.51 ' CD2' HD23 ' A' ' 49' ' ' LEU . 8.5 mt -103.89 -30.66 10.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' LEU . 29.3 ttt180 -37.45 -37.42 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.52 -47.79 80.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 98.85 23.05 12.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG13 HD23 ' A' ' 69' ' ' LEU . 93.8 t -101.63 -32.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 111.095 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 44' ' ' LEU . 61.2 tp -81.27 -54.03 5.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.8 mt -35.22 -52.93 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.414 ' HA ' HD12 ' A' ' 62' ' ' ILE . 57.0 m -55.08 -42.62 73.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 49' ' ' LEU . 31.0 mt-30 -53.7 -45.54 70.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.4 tp -43.26 -61.84 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.838 HD12 HD11 ' A' ' 62' ' ' ILE . 72.4 mt -54.44 -40.79 68.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 71.1 m-20 -63.97 -25.57 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -77.55 -47.99 18.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.24 -55.08 24.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.61 ' HB2' HG21 ' A' ' 127' ' ' ILE . 8.9 ttt85 -116.92 157.43 25.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.26 143.91 26.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 61.52 35.84 17.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.7 m -79.96 -44.2 20.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.838 HD11 HD12 ' A' ' 54' ' ' LEU . 52.9 mt -146.32 120.94 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -71.5 108.68 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.1 mt -47.68 -35.81 10.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -63.52 -34.16 77.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -68.15 -23.19 64.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.406 HG21 ' SG ' ' A' ' 51' ' ' CYS . 29.5 pt -105.47 134.15 47.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -72.77 89.33 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.561 HD23 HG13 ' A' ' 48' ' ' VAL . 39.7 mt -51.7 -37.05 49.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -112.49 87.3 9.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.609 0.718 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -29.52 23.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.381 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 59.97 35.26 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 16.4 mmt 61.57 50.78 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.439 ' HB2' HD12 ' A' ' 77' ' ' LEU . 2.8 m -115.88 92.71 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 74' ' ' SER . 33.2 tt0 -35.62 -48.21 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -51.58 -50.27 60.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.439 HD12 ' HB2' ' A' ' 74' ' ' SER . 80.4 mt -71.39 -56.28 6.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.2 m -44.51 -56.98 3.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.5 mt -52.62 -48.06 66.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -55.63 -56.33 21.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -42.93 -59.29 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.444 HG12 HD23 ' A' ' 106' ' ' LEU . 69.7 mt -41.83 -61.02 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -40.31 -54.63 2.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.4 m -39.08 -57.51 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.148 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -53.89 -58.69 6.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.645 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 16.7 mt -51.17 -31.38 19.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.3 m -70.31 -57.8 4.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -48.09 -46.34 33.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 3.5 m -43.6 -23.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 88' ' ' ALA . 42.5 t -105.98 -25.06 12.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 88' ' ' ALA . 4.7 mt-10 -89.69 -57.33 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.7 m -68.4 -49.1 62.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.582 ' CE1' HD22 ' A' ' 54' ' ' LEU . 28.0 m-85 -95.01 -67.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.77 57.55 0.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 74.2 mtp -98.63 -177.99 3.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.761 0.315 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -89.0 114.83 26.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -49.29 -38.58 27.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.2 t -54.62 -33.95 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -72.54 -37.6 68.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.8 mt -53.55 163.6 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.645 ' CZ ' HD21 ' A' ' 86' ' ' LEU . 43.1 p90 -93.83 165.38 12.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.08 141.91 43.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.89 -30.88 62.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 105' ' ' ASP . 9.4 t80 -79.75 -55.51 4.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 104' ' ' PHE . 0.9 OUTLIER -34.66 -43.66 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.444 HD23 HG12 ' A' ' 82' ' ' ILE . 16.3 tp -75.08 -45.82 38.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 104' ' ' PHE . 9.7 t80 -58.92 -57.77 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' VAL . 1.1 m-20 -87.72 15.1 7.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.603 HG13 ' HB1' ' A' ' 41' ' ' ALA . 5.6 t 35.32 50.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -78.33 -62.5 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 105' ' ' ASP . 1.1 m-20 -120.32 69.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.467 ' CD2' HD11 ' A' ' 116' ' ' ILE . 25.8 t80 -47.74 -33.82 7.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.69 -51.68 5.64 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -48.96 -34.52 13.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.532 HG22 ' CG ' ' A' ' 101' ' ' PHE . 17.0 t -75.15 -39.09 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 112' ' ' PHE . 55.1 mt -67.08 -49.57 72.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -57.36 -51.69 68.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 55.3 m -39.44 -51.73 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.493 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 31.5 mt -57.02 -45.37 83.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.567 ' HA ' ' CD1' ' A' ' 136' ' ' PHE . 23.2 t -45.08 -45.13 10.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 32.1 mtt-85 -72.82 -53.41 11.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.434 ' O ' HG23 ' A' ' 125' ' ' THR . 10.5 tp -38.75 -52.26 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.586 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 60.5 p -37.55 -42.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 125' ' ' THR . 12.7 mmm180 -46.99 -46.3 21.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 122' ' ' LEU . 80.3 p -35.68 147.28 0.17 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 111.155 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -1.22 8.09 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.61 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -97.08 -36.9 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -71.22 -40.78 70.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 132' ' ' GLY . 52.7 mt -73.87 -38.65 64.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.71 -46.88 3.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.2 p -60.63 -33.87 73.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 90.28 26.62 23.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.536 HG23 ' HB3' ' A' ' 20' ' ' HIS . 41.2 mt -83.43 142.98 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 133' ' ' ILE . 36.1 mtp85 -33.78 96.92 0.11 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.7 Cg_endo -69.79 144.17 53.01 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 120' ' ' SER . 20.5 m-85 -57.89 151.74 42.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 149.73 67.27 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.335 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.9 m -159.34 152.13 21.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -41.41 151.14 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 141' ' ' SER . 53.7 Cg_endo -69.78 -42.84 3.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.322 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 140' ' ' PRO . 23.8 m -34.88 -47.77 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.5 t -63.16 131.23 47.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m -49.61 -58.71 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -94.7 108.84 20.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.45 -115.06 1.01 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.453 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.3 p -136.48 167.61 21.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -116.38 80.42 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.13 -179.38 52.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.9 tpp -51.39 112.16 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.732 0.301 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.77 156.46 2.39 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.636 0.731 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -10.42 28.54 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.737 2.291 . . . . 0.0 112.328 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.739 ' CD1' HG13 ' A' ' 37' ' ' VAL . 6.4 p-90 -88.59 -31.0 18.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -55.84 -47.32 77.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -73.83 -41.64 62.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.1 t -50.75 -39.88 53.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.432 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -48.05 -47.09 33.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -53.0 -62.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.536 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 24.2 t90 -38.84 -46.83 1.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.878 ' O ' HG22 ' A' ' 23' ' ' VAL . 22.8 mt -57.27 -52.02 67.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.58 HD11 HG22 ' A' ' 31' ' ' THR . 61.3 mt -54.6 -43.85 66.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -73.92 -28.09 61.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.536 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 50.5 m -73.19 2.37 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 66.02 45.87 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.878 HG22 ' O ' ' A' ' 18' ' ' LEU . 27.7 m -123.4 -28.27 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.81 HD22 ' NE2' ' A' ' 28' ' ' HIS . 88.0 mt -133.69 151.5 77.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.704 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.462 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.6 Cg_endo -69.7 157.25 61.15 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.367 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -66.52 -29.9 70.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -105.75 24.96 11.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.81 ' NE2' HD22 ' A' ' 24' ' ' LEU . 7.2 t60 -52.67 -179.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -86.4 -33.64 20.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.408 HG22 ' HD2' ' A' ' 28' ' ' HIS . 7.7 m -64.08 -16.58 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.58 HG22 HD11 ' A' ' 19' ' ' ILE . 74.1 p -79.14 -26.79 42.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -66.6 138.27 57.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -56.76 -29.39 62.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.3 m -66.57 -30.38 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.44 159.52 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.476 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . 72.8 mt-30 -148.56 166.73 27.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.739 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.3 m -33.96 -48.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.54 -59.42 4.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.2 -58.28 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.617 HD11 ' CD1' ' A' ' 18' ' ' LEU . 35.8 tp -67.57 -18.17 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.15 -27.58 28.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -75.12 -52.81 10.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.46 HG23 ' HG ' ' A' ' 44' ' ' LEU . 5.9 t -47.97 -25.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' HG ' HG23 ' A' ' 43' ' ' THR . 24.4 mt -102.53 -29.31 11.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -41.31 -36.53 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -62.56 -53.51 53.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.78 24.24 7.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -102.47 -35.76 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 111.142 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.8 tp -78.0 -55.64 5.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.6 mt -35.28 -58.74 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.3 m -47.85 -42.23 25.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' LEU . 25.9 mt-30 -57.14 -51.88 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' GLN . 47.7 tp -34.54 -61.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.428 HD12 HD11 ' A' ' 62' ' ' ILE . 33.2 mt -57.91 -40.64 80.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' GLN . 71.0 m-20 -62.88 -23.74 67.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -80.83 -49.03 11.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.642 ' HB3' HG22 ' A' ' 127' ' ' ILE . 20.7 mt -64.37 -52.66 57.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.44 ' HB2' HG21 ' A' ' 127' ' ' ILE . 19.6 ttt-85 -117.13 159.45 22.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.429 ' O ' ' NH1' ' A' ' 58' ' ' ARG . . . -93.79 147.09 23.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 61.74 26.01 15.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -69.84 -41.55 74.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.428 HD11 HD12 ' A' ' 54' ' ' LEU . 32.9 mt -152.34 138.48 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.401 ' C ' ' OD1' ' A' ' 63' ' ' ASN . 39.3 t-20 -90.65 108.06 19.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.592 HD23 HD11 ' A' ' 67' ' ' ILE . 84.5 mt -45.51 -42.88 11.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.475 ' N ' ' HE2' ' A' ' 65' ' ' LYS . 10.2 mmpt? -58.96 -33.16 70.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.65 -24.82 60.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 1.001 ' CG2' HG21 ' A' ' 84' ' ' THR . 15.2 pt -104.26 132.54 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -55.95 118.46 4.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.446 ' C ' ' HD3' ' A' ' 71' ' ' PRO . 18.1 mt -91.2 -22.92 20.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.473 ' C ' ' H ' ' A' ' 72' ' ' GLN . 10.2 mpt_? -113.5 63.54 0.99 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 73' ' ' MET . 54.2 Cg_endo -69.71 17.88 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.498 ' C ' ' O ' ' A' ' 71' ' ' PRO . 94.9 mt-30 -28.03 92.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.508 ' N ' ' O ' ' A' ' 71' ' ' PRO . 33.6 mmt 34.02 49.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 77' ' ' LEU . 4.8 t -118.1 85.71 2.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.466 ' HG2' HD12 ' A' ' 79' ' ' LEU . 32.1 tt0 -34.02 -57.04 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -46.15 -43.28 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 74' ' ' SER . 49.2 mt -73.02 -47.66 43.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 85.1 m -56.95 -64.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.466 HD12 ' HG2' ' A' ' 75' ' ' GLN . 18.1 mt -45.46 -59.8 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -49.1 -57.83 5.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -39.62 -57.75 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.447 HG21 ' HA ' ' A' ' 103' ' ' ALA . 71.9 mt -46.28 -58.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -45.92 -50.92 14.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 1.001 HG21 ' CG2' ' A' ' 67' ' ' ILE . 28.9 m -41.33 -44.35 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -65.12 -63.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.5 mt -45.56 -27.1 0.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.8 m -71.69 -52.79 16.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.67 -25.88 65.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 70.8 m -60.81 -27.79 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 13.7 t -105.82 -25.29 12.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -88.0 -61.86 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.8 m -64.1 -53.68 45.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -89.73 -66.99 0.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.97 72.89 0.91 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.4 ptp -120.6 171.07 8.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.764 0.316 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.8 mtt-85 -56.14 99.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -49.9 -37.68 32.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.9 t -57.31 -39.33 75.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 121' ' ' ARG . 72.8 mm-40 -62.28 -41.91 98.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.1 mt -43.25 162.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.457 ' CZ ' HG13 ' A' ' 115' ' ' VAL . 23.4 p90 -106.43 168.9 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.506 ' CD ' ' CG ' ' A' ' 105' ' ' ASP . 1.1 pm0 -78.86 -175.52 4.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.447 ' HA ' HG21 ' A' ' 82' ' ' ILE . . . -96.16 -38.58 10.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 105' ' ' ASP . 4.6 t80 -59.65 -59.89 4.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.506 ' CG ' ' CD ' ' A' ' 102' ' ' GLU . 6.5 m-20 -36.81 -38.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.742 HD13 HG21 ' A' ' 115' ' ' VAL . 29.1 tp -83.98 -47.68 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -54.88 -56.3 21.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -85.75 18.18 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 109' ' ' VAL . 4.5 t 38.3 31.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -59.56 -62.71 1.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -127.6 92.41 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -72.43 -39.2 68.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -44.09 -34.45 3.16 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.456 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -64.5 -37.33 87.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.742 HG21 HD13 ' A' ' 106' ' ' LEU . 23.8 t -70.37 -39.16 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 45.1 mt -61.97 -44.04 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -57.69 -54.81 42.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 121' ' ' ARG . 22.0 m -40.49 -51.17 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.5 mt -62.09 -38.04 87.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.463 ' HA ' ' CD1' ' A' ' 136' ' ' PHE . 4.9 t -50.28 -45.29 54.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.497 ' O ' ' CG ' ' A' ' 124' ' ' ARG . 9.9 ptt-85 -80.58 -36.74 32.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 125' ' ' THR . 42.7 tp -48.98 -46.5 43.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.438 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 15.5 p -52.61 -23.96 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 121' ' ' ARG . 1.0 OUTLIER -60.12 -28.01 67.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 122' ' ' LEU . 46.4 p -57.57 150.97 42.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.562 0.696 . . . . 0.0 111.156 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 130' ' ' ALA . 53.8 Cg_endo -69.72 1.06 4.75 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.642 HG22 ' HB3' ' A' ' 57' ' ' LEU . 5.2 mp -93.33 -42.04 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.438 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -70.19 -54.89 10.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 28.8 mt -57.68 -38.99 76.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 126' ' ' PRO . . . -45.16 -49.33 12.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.1 p -54.89 -36.11 64.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 97.5 21.06 20.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 54.3 mt -80.5 140.17 17.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 134' ' ' ARG . 4.5 ptp180 -44.19 103.55 0.33 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 140.9 43.54 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.68 2.253 . . . . 0.0 112.283 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 120' ' ' SER . 31.9 m-85 -40.76 155.96 0.2 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.658 0.742 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -4.6 14.36 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.621 2.214 . . . . 0.0 112.383 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.0 t -103.05 109.57 21.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 154.95 156.94 7.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -179.74 3.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.634 2.222 . . . . 0.0 112.399 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 32.0 p -53.63 151.67 5.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 69.7 m -96.36 93.49 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.816 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.477 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -151.62 106.92 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 t -44.83 153.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.97 72.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.484 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 m -137.4 156.8 47.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.2 p -122.02 118.94 30.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.807 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.82 174.01 19.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.5 ttp -104.08 101.38 11.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.727 0.298 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.479 ' CG ' ' HE3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -50.28 159.2 0.87 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.659 0.743 . . . . 0.0 110.896 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -42.6 3.25 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.649 2.233 . . . . 0.0 112.319 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.536 ' CE2' ' HD2' ' A' ' 12' ' ' LYS . 13.8 p-90 -75.29 -41.53 56.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.536 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -33.39 -57.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -70.04 -44.03 70.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 15' ' ' ALA . 12.9 t -44.87 -52.38 8.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.608 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -34.84 -46.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.068 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' TRP . 14.8 mm100 -56.55 -68.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.537 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 25.7 t90 -35.8 -49.51 0.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.74 ' O ' HG22 ' A' ' 23' ' ' VAL . 19.0 mt -53.27 -55.98 20.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.2 mt -50.43 -43.25 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -71.82 -34.29 69.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.537 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 88.1 m -66.84 -4.37 9.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp 71.74 46.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 18' ' ' LEU . 26.8 m -123.31 -29.52 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.655 HD22 ' CD2' ' A' ' 28' ' ' HIS . 46.8 mt -132.72 147.82 67.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.556 0.693 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.422 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.74 165.1 32.1 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -74.72 -25.6 59.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -109.55 27.0 9.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.655 ' CD2' HD22 ' A' ' 24' ' ' LEU . 5.3 t60 -56.88 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.535 ' HD3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -90.66 -33.74 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 m -64.96 -19.31 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.4 p -71.35 -36.95 71.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.177 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -58.67 130.8 48.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -49.43 -44.06 45.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.1 m -50.17 -42.83 51.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.423 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -46.79 167.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 37' ' ' VAL . 80.0 mt-30 -150.03 164.47 35.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.454 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.0 m -34.78 -44.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.409 ' CD1' ' CG ' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -50.49 -58.22 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -41.54 -61.07 1.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.564 HD11 HD13 ' A' ' 18' ' ' LEU . 59.3 tp -63.4 -23.38 67.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.76 -25.72 37.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.409 ' CG ' ' CD1' ' A' ' 38' ' ' PHE . 29.1 mt-30 -77.38 -53.8 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.429 HG23 ' HG ' ' A' ' 44' ' ' LEU . 5.6 t -50.29 -23.16 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.429 ' HG ' HG23 ' A' ' 43' ' ' THR . 18.9 mt -102.83 -28.87 11.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.427 ' NH1' ' HE1' ' A' ' 73' ' ' MET . 13.4 ttt180 -41.18 -34.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.74 -47.59 80.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.74 24.38 12.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.519 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.4 t -103.01 -36.13 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 111.14 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' HD23 ' A' ' 44' ' ' LEU . 33.4 tp -78.49 -49.5 13.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.9 mt -39.25 -58.02 1.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.633 ' SG ' HG21 ' A' ' 67' ' ' ILE . 88.2 m -49.01 -43.12 40.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' LEU . 19.8 mt-30 -56.52 -50.16 72.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' GLN . 61.2 tp -35.3 -63.09 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.704 HD12 HD11 ' A' ' 62' ' ' ILE . 61.6 mt -57.01 -44.91 83.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 81.4 m-20 -56.88 -27.79 61.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -76.37 -42.36 44.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.443 ' HB3' HG22 ' A' ' 127' ' ' ILE . 20.4 mt -68.89 -54.77 13.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -118.3 157.68 26.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.92 146.02 24.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.071 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.3 m170 62.49 25.9 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.411 ' HB3' HG21 ' A' ' 92' ' ' THR . 4.9 m -70.66 -43.9 68.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.704 HD11 HD12 ' A' ' 54' ' ' LEU . 51.2 mt -149.0 126.37 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -78.42 107.92 11.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.6 mt -44.27 -32.36 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -67.19 -38.43 85.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -61.99 -25.03 67.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.633 HG21 ' SG ' ' A' ' 51' ' ' CYS . 25.1 pt -105.19 141.07 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -75.17 92.88 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 mt -52.14 -24.04 6.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -122.08 86.52 46.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.567 0.699 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 72' ' ' GLN . 54.1 Cg_endo -69.79 1.07 4.78 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 71' ' ' PRO . 73.3 mt-30 34.48 48.19 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.427 ' HE1' ' NH1' ' A' ' 45' ' ' ARG . 48.3 mmm 38.68 49.07 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 m -104.89 175.26 5.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -98.16 -37.73 9.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -74.22 -56.38 4.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.3 mt -54.66 -57.42 11.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.0 t -48.38 -59.73 3.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 75.0 mt -51.42 -54.77 23.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.12 -52.54 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -47.98 -57.73 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.5 mt -46.71 -58.28 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.2 mtp85 -42.45 -55.02 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.427 HG21 HG23 ' A' ' 67' ' ' ILE . 67.2 m -40.24 -48.87 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -58.61 -58.58 7.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 100' ' ' LEU . 14.8 mt -50.44 -28.85 8.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.676 HG22 ' HG3' ' A' ' 91' ' ' GLU . 18.6 m -70.85 -46.61 62.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.4 -32.69 70.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 98.6 m -52.23 -25.25 8.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 48.8 t -110.9 -31.36 7.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.676 ' HG3' HG22 ' A' ' 87' ' ' THR . 4.7 mm-40 -78.93 -53.22 7.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.411 HG21 ' HB3' ' A' ' 61' ' ' SER . 98.1 m -74.91 -53.39 9.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.749 ' CE2' HD11 ' A' ' 122' ' ' LEU . 6.9 m-85 -88.18 -70.74 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.47 44.29 0.72 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 20.4 ptm -96.6 174.47 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.316 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.468 ' CB ' ' OE2' ' A' ' 99' ' ' GLU . 56.5 mtm-85 -61.49 172.93 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -103.09 -34.64 8.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.1 m -59.07 -30.25 67.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.511 ' CD ' ' N ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -65.89 -46.17 79.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.561 ' HB3' HD22 ' A' ' 86' ' ' LEU . 20.6 mt -45.76 157.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.575 ' CE2' HG13 ' A' ' 115' ' ' VAL . 43.1 p90 -102.94 151.47 22.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.95 125.92 26.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.85 -48.19 51.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -56.05 -53.65 54.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.24 -32.74 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.66 HD13 HG21 ' A' ' 115' ' ' VAL . 14.6 tp -84.36 -49.33 8.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -50.87 -59.39 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -81.67 -6.29 58.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.401 ' O ' HG12 ' A' ' 109' ' ' VAL . 6.5 t 61.58 46.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -70.37 -64.43 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.3 97.6 4.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -69.48 -38.33 77.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.19 -36.29 2.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -64.58 -38.5 91.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.66 HG21 HD13 ' A' ' 106' ' ' LEU . 59.8 t -69.23 -37.22 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.0 mt -63.43 -49.97 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -50.99 -52.66 40.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 87.6 m -38.42 -48.09 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.418 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 17.5 mt -67.97 -42.9 80.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.54 ' HA ' ' CD2' ' A' ' 136' ' ' PHE . 20.0 m -47.63 -36.75 11.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 122' ' ' LEU . 46.5 mtt-85 -85.01 -56.65 3.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.749 HD11 ' CE2' ' A' ' 93' ' ' PHE . 21.8 tp -34.97 -44.84 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.613 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 59.6 p -45.49 -48.5 14.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 124' ' ' ARG . 15.4 mtp-105 -42.09 -37.82 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 122' ' ' LEU . 61.7 p -42.35 148.64 0.5 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.571 0.701 . . . . 0.0 111.135 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -0.46 6.93 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.365 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.443 HG22 ' HB3' ' A' ' 57' ' ' LEU . 5.4 mp -96.27 -41.93 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -66.84 -41.81 86.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 132' ' ' GLY . 49.7 mt -70.89 -44.62 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -37.79 -47.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.9 p -60.92 -37.42 82.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 95.99 25.94 12.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 70.4 mt -81.88 146.17 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 111.099 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -37.47 99.39 0.18 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 140.9 44.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.268 . . . . 0.0 112.387 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.54 ' CD2' ' HA ' ' A' ' 120' ' ' SER . 31.4 m-85 -57.71 156.51 17.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.668 0.746 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 102.61 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.371 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 21.4 p -107.34 -42.51 4.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -57.41 -175.15 0.35 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 164.44 34.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 82.0 p -151.47 128.25 10.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 77.8 p -136.07 175.92 9.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 t -110.92 92.42 4.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.6 m -60.52 143.48 53.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.81 134.9 2.35 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -144.42 173.66 11.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.888 0.375 . . . . 0.0 110.81 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -103.36 113.45 26.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.2 88.14 1.41 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.462 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 ptp -124.09 159.63 29.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.723 0.296 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -53.85 153.21 8.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.665 0.745 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -16.36 37.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.313 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.637 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 4.9 p-90 -78.59 -29.47 46.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 21.2 mmtm -58.65 -51.85 68.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -69.19 -46.26 67.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.2 t -42.39 -47.8 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.556 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -39.92 -48.15 2.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -54.02 -61.0 2.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.539 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 16.8 t90 -45.26 -48.03 12.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.835 ' O ' HG22 ' A' ' 23' ' ' VAL . 17.9 mt -53.73 -51.37 63.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.9 mt -55.78 -41.2 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -74.5 -30.31 61.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.539 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 94.3 m -71.02 0.19 8.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt 67.46 48.51 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.835 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.5 m -127.57 -29.82 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.859 HD22 ' CE1' ' A' ' 28' ' ' HIS . 89.7 mt -131.36 147.35 65.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.585 0.707 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.454 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.75 156.52 63.16 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.733 2.289 . . . . 0.0 112.331 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.6 p -66.27 -28.73 68.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -106.01 21.86 16.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.859 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.3 t-160 -49.31 176.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -87.26 -21.63 25.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.0 m -72.26 -22.27 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.4 p -77.67 -15.96 58.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.5 m95 -67.84 129.45 39.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -52.53 -25.18 9.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 m -73.3 -35.49 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.46 166.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -144.52 160.53 40.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.637 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 3.3 m -38.29 -38.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.71 ' CE1' HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -60.45 -57.59 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -40.66 -58.59 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 18' ' ' LEU . 47.2 tp -66.0 -27.4 68.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.509 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . . . -77.46 -22.68 51.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -76.07 -51.65 11.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.409 ' CG2' ' HG ' ' A' ' 44' ' ' LEU . 2.7 t -53.87 -25.17 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.409 ' HG ' ' CG2' ' A' ' 43' ' ' THR . 10.3 mt -102.57 -18.59 15.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -55.55 -39.9 71.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.49 ' OD2' ' CE ' ' A' ' 73' ' ' MET . 41.1 m-20 -80.94 14.52 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.77 30.1 0.9 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.447 HG23 ' CB ' ' A' ' 46' ' ' ASP . 65.6 t -80.69 -54.75 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.52 HD21 ' HB ' ' A' ' 23' ' ' VAL . 22.3 tp -77.84 -45.35 24.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 49' ' ' LEU . 11.1 mt -34.55 -58.92 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.3 m -56.13 -40.22 73.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 49' ' ' LEU . 24.8 mt-30 -60.33 -45.08 94.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.1 tp -42.74 -55.36 3.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.737 HD12 HD11 ' A' ' 62' ' ' ILE . 52.8 mt -62.01 -44.45 96.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 71.5 m-20 -59.19 -23.66 62.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -78.34 -49.21 14.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.604 ' HB3' HG22 ' A' ' 127' ' ' ILE . 20.3 mt -64.17 -53.35 50.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.632 ' HB2' HG21 ' A' ' 127' ' ' ILE . 13.6 ttt180 -118.27 157.71 26.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.07 148.95 21.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.0 m170 61.7 25.32 15.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -70.9 -47.02 61.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.737 HD11 HD12 ' A' ' 54' ' ' LEU . 68.9 mt -147.59 130.43 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -80.66 111.22 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.452 HD23 HD11 ' A' ' 67' ' ' ILE . 86.3 mt -49.18 -36.9 20.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 12.8 mptt -62.36 -38.52 89.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.86 -23.52 67.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.653 ' CG2' HG21 ' A' ' 84' ' ' THR . 27.0 pt -104.97 127.71 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.411 ' CB ' HD22 ' A' ' 77' ' ' LEU . 13.5 m120 -74.11 101.21 3.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 mt -80.71 138.72 36.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.429 ' N ' ' CD ' ' A' ' 71' ' ' PRO . 23.8 ttt180 74.41 54.99 0.26 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 70' ' ' ARG . 54.0 Cg_endo -69.76 0.85 5.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.721 2.281 . . . . 0.0 112.351 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 43.99 39.08 2.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.49 ' CE ' ' OD2' ' A' ' 46' ' ' ASP . 6.9 mmt 68.39 49.34 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.424 ' CB ' HD12 ' A' ' 77' ' ' LEU . 23.3 t -98.77 122.27 41.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 46.8 tt0 -52.17 -54.81 26.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.943 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -54.94 -71.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.424 HD12 ' CB ' ' A' ' 74' ' ' SER . 29.5 mt -44.48 -55.78 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 46.1 t -46.49 -68.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 28.6 mt -45.99 -43.51 14.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -56.56 20.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 82' ' ' ILE . 70.8 m-20 -49.42 -62.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 81' ' ' ASN . 90.5 mt -33.95 -55.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 86' ' ' LEU . 16.1 mtt-85 -57.71 -55.43 35.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.653 HG21 ' CG2' ' A' ' 67' ' ' ILE . 86.2 m -39.35 -32.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -82.6 -39.66 21.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 83' ' ' ARG . 73.1 mt -60.96 -36.54 79.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.564 ' CG2' ' N ' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -66.52 -47.36 73.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.117 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.564 ' N ' ' CG2' ' A' ' 87' ' ' THR . . . -57.66 -30.04 65.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 3.7 m -65.98 -15.8 63.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 21.9 t -120.31 -20.58 7.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -93.22 -45.29 7.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.3 m -82.44 -52.86 6.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.402 ' CE2' HD11 ' A' ' 122' ' ' LEU . 6.1 m-85 -87.24 -56.99 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 99.17 56.89 0.98 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 70.2 mtp -102.45 179.1 4.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -78.56 105.16 9.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -53.44 -19.95 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.0 t -69.09 -31.0 69.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -76.73 -35.65 57.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 73.7 mt -49.07 160.47 0.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.545 ' CE1' HG13 ' A' ' 115' ' ' VAL . 36.3 p90 -94.1 159.88 14.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.63 179.37 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.01 -25.51 15.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -84.81 -49.59 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -38.57 -43.32 0.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.9 tp -75.89 -51.48 12.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 17.3 t80 -51.26 -62.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -74.19 3.66 6.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.71 HG21 ' CE1' ' A' ' 38' ' ' PHE . 43.2 t 48.37 43.54 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -69.1 -60.92 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -133.61 97.3 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.539 ' CD2' HD11 ' A' ' 116' ' ' ILE . 41.3 t80 -69.26 -38.41 78.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.78 -45.55 13.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -56.3 -30.82 63.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.545 HG13 ' CE1' ' A' ' 101' ' ' PHE . 19.5 t -77.38 -38.78 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.539 HD11 ' CD2' ' A' ' 112' ' ' PHE . 45.2 mt -64.22 -36.4 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -56.62 -51.38 68.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 98.3 m -44.45 -50.49 9.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.6 mt -55.86 -55.99 25.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.498 ' HA ' ' CE1' ' A' ' 136' ' ' PHE . 28.8 t -41.13 -41.71 1.83 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -75.01 -50.29 17.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.402 HD11 ' CE2' ' A' ' 93' ' ' PHE . 18.3 tp -42.19 -49.73 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.406 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 54.5 p -40.7 -44.19 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.408 ' CG ' ' N ' ' A' ' 125' ' ' THR . 26.2 ptt180 -45.18 -42.41 9.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.408 ' N ' ' CG ' ' A' ' 124' ' ' ARG . 71.6 p -43.36 145.94 0.97 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 111.083 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 0.3 5.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.632 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.2 mp -95.07 -39.59 10.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.406 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -71.65 -48.57 46.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 42.0 mt -63.98 -36.04 82.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.82 -50.67 5.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 37.7 p -49.68 -33.34 15.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 104.98 11.83 29.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 53.1 mt -75.38 140.25 17.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 0.0 111.132 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 62.0 mmt-85 -65.5 137.68 96.61 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 143.12 49.52 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.498 ' CE1' ' HA ' ' A' ' 120' ' ' SER . 3.0 p90 -130.51 123.68 20.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.688 0.756 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -178.55 2.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.459 ' HB3' ' CB ' ' A' ' 120' ' ' SER . 70.9 p -122.12 139.09 54.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 100.11 167.43 29.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -0.78 7.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.0 t -44.51 134.72 5.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 36.0 p -56.79 148.22 21.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.463 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.466 -0.135 0 CA-C-O 120.803 0.251 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.527 ' CD1' HG13 ' A' ' 37' ' ' VAL . 6.9 p-90 -86.12 -23.96 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -67.92 -54.25 20.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -66.34 -32.81 74.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.7 t -57.12 -45.48 83.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -43.0 -48.91 6.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' TRP . 6.8 mm-40 -52.22 -66.97 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.519 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 36.6 t90 -37.5 -47.7 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.915 ' O ' HG22 ' A' ' 23' ' ' VAL . 61.3 mt -54.89 -54.16 46.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.418 HD11 ' CG2' ' A' ' 31' ' ' THR . 77.9 mt -53.71 -47.14 62.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -66.5 -32.36 73.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.519 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 65.1 m -70.8 -0.7 9.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm 69.48 47.49 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.915 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.3 m -126.5 -28.83 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.925 HD22 ' CE1' ' A' ' 28' ' ' HIS . 63.9 mt -129.92 146.22 60.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.632 0.73 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 54.2 Cg_endo -69.76 147.84 63.79 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.402 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.8 p -61.53 -21.2 64.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -111.36 20.92 16.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.925 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.4 t-160 -51.38 169.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 11.7 ptm180 -82.36 -18.37 42.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.456 HG13 ' ND1' ' A' ' 28' ' ' HIS . 6.2 m -76.02 -16.8 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.418 ' CG2' HD11 ' A' ' 19' ' ' ILE . 39.8 p -82.19 -8.43 59.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.406 ' CD1' ' HA ' ' A' ' 29' ' ' ARG . 25.3 m95 -80.09 139.73 36.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -41.64 78.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.3 m -58.39 -22.24 53.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 32' ' ' TRP . . . -64.14 168.29 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' VAL . 81.0 mt-30 -154.55 163.79 39.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.527 HG13 ' CD1' ' A' ' 11' ' ' TRP . 5.3 m -36.01 -40.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -55.63 -62.43 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -41.0 -55.96 2.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.406 HD11 ' CD1' ' A' ' 18' ' ' LEU . 38.2 tp -66.3 -26.42 67.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.438 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . . . -80.67 -12.72 59.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -86.75 -50.29 6.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.44 HG23 ' HG ' ' A' ' 44' ' ' LEU . 8.3 t -51.23 -20.44 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 47' ' ' GLY . 4.5 mt -107.71 -24.4 11.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.976 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -41.12 -32.34 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -75.18 -38.03 61.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 89.54 16.71 56.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.479 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.8 t -88.67 -28.02 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.371 . . . . 0.0 111.095 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLN . 16.4 tp -83.97 -51.36 7.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.562 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . 11.6 mt -37.22 -54.41 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.709 ' HA ' HD12 ' A' ' 62' ' ' ILE . 97.1 m -52.28 -40.87 62.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' LEU . 30.4 mt-30 -60.71 -51.79 67.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.0 tp -38.9 -56.47 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.834 HD12 HD11 ' A' ' 62' ' ' ILE . 43.0 mt -60.82 -40.75 93.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 88.4 m-20 -63.62 -21.9 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -80.74 -47.11 14.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.16 -54.54 24.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.547 ' HB2' HG21 ' A' ' 127' ' ' ILE . 19.3 ttt180 -114.82 159.96 20.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.21 143.72 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 60.82 35.51 19.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 m -79.52 -44.14 21.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.834 HD11 HD12 ' A' ' 54' ' ' LEU . 36.9 mt -145.77 127.45 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -75.17 107.91 7.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.9 mt -48.17 -34.04 9.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -66.45 -35.34 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.98 -24.46 66.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.662 HG21 ' SG ' ' A' ' 51' ' ' CYS . 17.3 pt -105.35 142.36 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.863 0.364 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -57.77 -49.33 76.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.79 -50.42 69.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 37.0 m -51.87 -66.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.7 mt -42.98 -42.75 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 -52.3 65.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -51.29 -61.25 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.3 mt -40.38 -52.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.643 ' HA ' HD12 ' A' ' 86' ' ' LEU . 11.6 mtp85 -52.3 -47.26 66.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.6 m -49.04 -42.91 39.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 50' ' ' LEU . 2.5 t80 -65.86 -42.92 89.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 83' ' ' ARG . 19.2 mt -61.53 -35.0 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.774 HG22 ' HG3' ' A' ' 91' ' ' GLU . 11.2 m -71.31 -48.14 52.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.16 -22.73 61.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 6.2 m -70.17 -21.27 63.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 62.5 m -113.85 -18.35 11.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.774 ' HG3' HG22 ' A' ' 87' ' ' THR . 5.3 mm-40 -91.26 -48.82 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.6 m -80.57 -47.26 14.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.514 ' CE2' HD11 ' A' ' 122' ' ' LEU . 16.0 m-85 -93.7 -61.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.53 56.61 0.81 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 34.3 mtm -100.3 -179.02 3.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -66.66 154.24 41.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -95.88 -17.88 20.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.5 t -81.29 -37.67 28.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.451 ' N ' ' CD ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -60.93 -46.48 90.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.0 mt -38.43 157.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CE2' HG13 ' A' ' 115' ' ' VAL . 50.2 p90 -95.15 164.15 12.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -81.11 121.21 25.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.66 -47.05 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 14.4 t80 -58.91 -56.72 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 104' ' ' PHE . 40.4 m-20 -38.2 -41.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.469 HD13 HG21 ' A' ' 115' ' ' VAL . 38.3 tp -75.68 -53.17 8.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -50.44 -65.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.414 ' HB3' ' CG ' ' A' ' 110' ' ' ARG . 9.8 t0 -70.79 -6.23 36.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.0 t 57.96 37.71 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.414 ' CG ' ' HB3' ' A' ' 108' ' ' ASP . 19.2 mtp180 -69.23 -64.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -120.71 86.27 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 41' ' ' ALA . 45.7 t80 -68.11 -40.07 82.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.48 -30.74 4.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -67.69 -34.4 76.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.623 HG13 ' CE2' ' A' ' 101' ' ' PHE . 16.2 t -72.5 -40.34 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 14.1 mt -56.75 -44.69 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -60.35 -43.32 96.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 89.6 m -47.47 -34.55 7.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.0 mt -80.5 -33.81 36.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.7 m -54.15 -37.05 63.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 121' ' ' ARG . 4.5 mtm105 -77.17 -51.21 11.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 93' ' ' PHE . 9.6 tp -43.93 -48.55 8.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 4.5 p -42.07 -37.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.444 ' CG ' ' N ' ' A' ' 125' ' ' THR . 13.1 ptt180 -55.85 -44.48 78.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 124' ' ' ARG . 81.5 p -36.02 146.48 0.2 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.577 0.703 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.01 3.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.547 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -100.06 -32.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -79.5 -41.59 27.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 29.5 mt -69.5 -39.73 77.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.76 -48.72 5.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.3 p -56.6 -32.66 65.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.98 22.18 36.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 134' ' ' ARG . 46.0 mt -81.66 135.25 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 0.0 111.134 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 133' ' ' ILE . 16.4 mmm-85 -32.84 96.17 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.561 0.696 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 133' ' ' ILE . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.41 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.771 0.238 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.643 ' CD1' HG13 ' A' ' 37' ' ' VAL . 8.3 p-90 -98.76 -28.36 13.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.477 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 23.5 mmtt -58.82 -52.83 64.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -68.12 -38.36 82.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.3 t -48.83 -49.02 41.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.476 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -40.03 -49.56 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -51.9 -65.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.454 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 18.6 t90 -41.79 -45.55 3.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.889 ' O ' HG22 ' A' ' 23' ' ' VAL . 39.6 mt -57.84 -50.55 72.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.27 -43.53 76.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.567 ' HB3' HG23 ' A' ' 133' ' ' ILE . 22.8 m-70 -72.34 -30.77 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.454 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 56.2 m -71.31 -1.05 11.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 67.79 49.33 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.889 HG22 ' O ' ' A' ' 18' ' ' LEU . 35.5 m -125.57 -29.36 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.037 HD22 ' CE1' ' A' ' 28' ' ' HIS . 63.8 mt -133.76 151.24 76.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.634 0.73 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.82 152.96 69.16 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.285 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.4 p -62.99 -29.16 70.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.66 24.08 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 1.037 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.8 t-160 -50.48 170.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.4 ptt-85 -78.35 -26.19 46.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.9 m -69.58 -25.04 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.8 p -68.42 -38.82 81.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -53.26 148.95 7.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -64.04 -47.91 78.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 t -50.34 -22.5 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.95 160.53 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -147.54 170.29 17.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.643 HG13 ' CD1' ' A' ' 11' ' ' TRP . 3.8 m -40.8 -51.4 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -45.95 -61.41 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -38.84 -59.67 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 18' ' ' LEU . 61.4 tp -63.69 -25.03 68.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -78.76 -23.73 45.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -79.84 -53.59 6.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.652 HG23 ' HG ' ' A' ' 44' ' ' LEU . 14.8 t -47.92 -24.23 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.142 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.652 ' HG ' HG23 ' A' ' 43' ' ' THR . 13.5 mt -104.56 -23.73 13.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -46.36 -28.59 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -66.99 -43.69 82.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.9 24.4 22.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.8 t -104.92 -35.12 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.43 ' HB3' HD23 ' A' ' 44' ' ' LEU . 22.7 tp -77.5 -48.75 16.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -39.06 -56.54 1.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.469 ' HA ' HD12 ' A' ' 62' ' ' ILE . 66.6 m -51.33 -43.81 61.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' LEU . 14.6 mt-30 -55.77 -53.62 54.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' GLN . 18.5 tp -36.31 -55.28 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.715 HD12 HD11 ' A' ' 62' ' ' ILE . 47.7 mt -58.59 -45.2 89.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -57.85 -32.4 67.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -69.02 -50.84 45.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.554 HD13 ' HB2' ' A' ' 128' ' ' ALA . 22.0 mt -65.83 -56.64 10.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.779 ' HB2' HG21 ' A' ' 127' ' ' ILE . 9.8 ttm-85 -109.45 160.26 16.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.83 143.88 26.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 58.77 26.62 14.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 m -66.13 -41.26 90.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.715 HD11 HD12 ' A' ' 54' ' ' LEU . 37.3 mt -148.57 137.04 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -83.62 105.68 14.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.0 mt -46.73 -31.95 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -69.17 -34.27 74.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.54 -21.94 66.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.7 pt -108.16 138.73 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.479 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 47.7 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.84 0.352 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -59.93 -51.14 70.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.2 mt -71.58 -59.35 2.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.8 t -39.56 -51.07 2.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.2 -46.97 88.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.443 ' C ' ' CD ' ' A' ' 80' ' ' LYS . 2.9 tmtm? -58.0 -56.19 25.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' ILE . 23.5 m-20 -44.61 -64.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' ASN . 84.9 mt -37.74 -57.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -49.23 -43.07 42.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.8 m -51.71 -43.65 62.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -63.61 -62.1 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.768 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 14.0 mt -48.27 -35.34 11.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 88.5 m -62.14 -36.33 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.9 -33.26 68.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.4 m -59.22 -13.89 9.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 39.4 t -114.64 -26.84 7.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -90.2 -57.56 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.405 HG22 ' HD2' ' A' ' 58' ' ' ARG . 52.3 m -67.43 -55.98 11.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.553 ' CD2' HG21 ' A' ' 125' ' ' THR . 73.1 m-85 -87.49 -66.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 101.78 68.97 0.83 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.7 ptm -116.75 170.7 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -59.7 118.03 5.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -37.0 85.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -56.67 -25.18 53.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -78.75 -37.34 41.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.6 mt -52.27 160.6 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.768 ' CZ ' HD21 ' A' ' 86' ' ' LEU . 48.7 p90 -91.38 178.11 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 103' ' ' ALA . 16.1 mm-40 -100.54 120.66 40.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 102' ' ' GLU . . . -34.67 -43.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.081 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' ASP . 17.4 t80 -60.77 -60.29 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' PHE . 23.3 m-20 -36.79 -38.3 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.0 tp -75.14 -59.4 2.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.479 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 15.7 t80 -47.4 -60.34 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -74.32 -3.75 32.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 t 53.2 35.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -59.24 -66.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.11 95.99 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.527 ' CD2' HD11 ' A' ' 116' ' ' ILE . 46.2 t80 -67.97 -33.29 74.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.08 -32.09 27.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.492 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -67.35 -40.07 85.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.568 HG22 ' CG ' ' A' ' 101' ' ' PHE . 59.0 t -68.83 -41.29 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.527 HD11 ' CD2' ' A' ' 112' ' ' PHE . 40.9 mt -57.65 -49.01 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -51.03 -51.0 57.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 89.5 m -40.78 -48.46 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 27.7 mt -62.22 -45.22 94.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.8 t -45.51 -37.02 4.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -83.11 -53.76 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.724 ' O ' HG23 ' A' ' 125' ' ' THR . 22.6 tp -40.77 -42.02 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.507 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 88.8 p -49.81 -47.05 51.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -43.74 -33.23 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 122' ' ' LEU . 72.7 p -45.42 147.17 1.46 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.585 0.707 . . . . 0.0 111.144 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -2.64 10.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.779 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.2 mp -94.75 -36.61 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.554 ' HB2' HD13 ' A' ' 57' ' ' LEU . . . -74.33 -40.31 62.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 132' ' ' GLY . 47.0 mt -72.18 -40.42 67.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.46 -50.8 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 37.3 p -57.13 -33.1 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 91.08 23.68 29.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.567 HG23 ' HB3' ' A' ' 20' ' ' HIS . 59.4 mt -79.89 141.12 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 111.119 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 135' ' ' PRO . 34.3 mmm-85 -36.28 98.68 0.16 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.718 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.772 0.238 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.567 ' CZ2' ' HD2' ' A' ' 12' ' ' LYS . 6.1 p-90 -94.14 -42.4 9.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.567 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 20.1 mmmt -45.91 -43.96 14.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -80.67 -41.57 23.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.7 t -49.4 -39.55 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -48.13 -45.61 33.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -55.48 -59.8 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 26.5 t90 -42.75 -46.86 5.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.845 ' O ' HG22 ' A' ' 23' ' ' VAL . 17.1 mt -56.55 -54.66 43.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.1 mt -53.07 -42.81 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -73.45 -29.64 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 68.8 m -71.71 1.12 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp 67.22 46.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.845 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.7 m -123.62 -29.95 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.823 HD22 ' CE1' ' A' ' 28' ' ' HIS . 55.8 mt -132.93 151.13 77.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.706 . . . . 0.0 110.959 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.475 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.81 161.04 47.45 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.2 p -69.75 -30.14 67.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -106.54 26.61 9.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.823 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.3 t-80 -53.14 -175.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 11.9 ptm180 -88.29 -33.95 17.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.7 m -63.46 -14.5 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.2 p -82.6 -30.81 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -57.05 130.09 44.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -47.32 -41.8 19.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.5 p -59.29 -37.65 78.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' ARG . . . -43.67 160.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.069 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' VAL . 69.5 mt-30 -146.75 160.31 42.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.526 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.6 m -34.52 -46.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.482 ' CE1' HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -50.77 -59.98 3.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -40.88 -57.93 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.436 HD11 ' CD1' ' A' ' 18' ' ' LEU . 27.3 tp -63.35 -27.03 69.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -76.19 -27.68 56.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -74.28 -56.79 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.592 HG23 ' HG ' ' A' ' 44' ' ' LEU . 14.7 t -45.15 -21.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.592 ' HG ' HG23 ' A' ' 43' ' ' THR . 30.5 mt -107.37 -27.52 10.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -44.74 -37.79 3.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.44 -45.73 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.23 25.21 14.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.6 t -105.21 -32.99 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.897 0.38 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 50' ' ' LEU . 42.7 tp -82.94 -53.26 5.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.4 mt -34.26 -59.24 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.411 ' SG ' HG21 ' A' ' 67' ' ' ILE . 94.9 m -48.39 -44.57 34.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' LEU . 19.2 mt-30 -55.54 -47.7 75.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' GLN . 56.8 tp -34.87 -63.45 0.32 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.775 HD22 ' CE1' ' A' ' 93' ' ' PHE . 58.1 mt -57.38 -46.81 83.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -53.81 -25.23 18.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -81.6 -43.8 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.43 ' HB3' HG22 ' A' ' 127' ' ' ILE . 25.2 mt -69.6 -53.66 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.47 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 9.0 ttt180 -118.28 159.36 23.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.21 146.85 23.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.6 m170 62.64 28.58 16.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.8 m -75.12 -44.67 45.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.601 HD11 HD12 ' A' ' 54' ' ' LEU . 63.7 mt -148.9 122.69 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 66' ' ' GLU . 48.7 t-20 -75.3 107.33 7.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.4 mt -43.35 -32.97 0.91 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -68.09 -38.78 82.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 63' ' ' ASN . 13.7 mt-10 -62.89 -27.0 69.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.637 ' CG2' HG21 ' A' ' 84' ' ' THR . 21.5 pt -103.59 130.06 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.798 0.332 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -65.45 -58.57 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 78' ' ' CYS . 37.6 mt -63.76 -62.77 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.483 ' HG ' ' HD1' ' A' ' 107' ' ' PHE . 48.9 t -38.23 -61.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.0 mt -47.07 -56.45 6.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -58.75 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 82' ' ' ILE . 80.5 m-20 -41.74 -65.29 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 81' ' ' ASN . 71.7 mt -35.0 -53.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -54.94 -50.77 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.637 HG21 ' CG2' ' A' ' 67' ' ' ILE . 96.0 m -44.57 -38.63 4.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.429 ' CZ ' ' SG ' ' A' ' 89' ' ' CYS . 6.2 t80 -68.69 -60.2 2.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.542 HD22 ' HB3' ' A' ' 100' ' ' LEU . 19.9 mt -45.51 -28.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.481 HG22 ' HG3' ' A' ' 91' ' ' GLU . 17.5 m -69.8 -51.15 36.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.164 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -39.94 75.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.429 ' SG ' ' CZ ' ' A' ' 85' ' ' PHE . 56.2 m -52.31 -19.52 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 47.7 t -111.69 -27.91 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.481 ' HG3' HG22 ' A' ' 87' ' ' THR . 5.2 mm-40 -86.63 -54.89 4.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.47 ' CG2' ' HD3' ' A' ' 58' ' ' ARG . 67.9 m -68.15 -56.87 7.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.883 ' CE2' HD11 ' A' ' 122' ' ' LEU . 14.1 m-85 -88.94 -64.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.79 65.59 0.8 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.5 ptp -110.38 -175.56 2.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.788 0.328 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.43 ' CB ' ' HG2' ' A' ' 99' ' ' GLU . 15.7 mmt85 -65.06 100.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -54.93 -27.28 42.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -69.88 -29.82 67.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.451 ' HG3' ' NE ' ' A' ' 121' ' ' ARG . 15.7 mm-40 -70.47 -31.55 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.542 ' HB3' HD22 ' A' ' 86' ' ' LEU . 28.7 mt -52.68 160.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.619 ' CE1' HG13 ' A' ' 115' ' ' VAL . 10.0 p90 -94.19 178.8 5.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -93.81 161.66 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.98 68.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.622 ' CZ ' ' CG ' ' A' ' 108' ' ' ASP . 12.6 t80 -67.67 -47.89 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -37.28 -43.73 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.2 tp -81.22 -52.48 7.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.483 ' HD1' ' HG ' ' A' ' 78' ' ' CYS . 15.4 t80 -47.38 -58.61 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.622 ' CG ' ' CZ ' ' A' ' 104' ' ' PHE . 0.6 OUTLIER -81.98 16.11 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 109' ' ' VAL . 15.7 t 38.28 43.14 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.2 mtp85 -64.35 -63.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -134.26 99.2 4.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.544 ' CD2' HD11 ' A' ' 116' ' ' ILE . 30.0 t80 -71.26 -36.89 71.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.68 -36.17 6.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -66.15 -37.15 84.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.619 HG13 ' CE1' ' A' ' 101' ' ' PHE . 38.5 t -72.22 -38.32 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.544 HD11 ' CD2' ' A' ' 112' ' ' PHE . 57.4 mt -61.38 -47.67 92.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.426 ' C ' ' OE1' ' A' ' 117' ' ' GLU . 0.2 OUTLIER -54.2 -48.72 70.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 99.4 m -39.63 -49.69 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.67 -47.45 75.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.8 p -44.4 -38.04 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.451 ' NE ' ' HG3' ' A' ' 99' ' ' GLU . 25.7 mtp85 -77.48 -60.12 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.883 HD11 ' CE2' ' A' ' 93' ' ' PHE . 9.1 tp -38.97 -40.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 76.6 p -44.45 -45.11 8.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 125' ' ' THR . 11.3 ptt-85 -46.58 -36.42 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 122' ' ' LEU . 72.0 p -45.69 146.62 1.8 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 111.148 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 0.5 5.56 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.24 . . . . 0.0 112.341 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.43 HG22 ' HB3' ' A' ' 57' ' ' LEU . 5.2 mp -94.34 -44.98 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.75 77.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.093 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 33.0 mt -67.01 -38.14 85.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.04 -46.22 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 41.6 p -58.65 -34.41 71.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.5 26.45 17.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 134' ' ' ARG . 47.5 mt -85.17 139.65 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 135' ' ' PRO . 11.5 mmm180 -36.36 98.68 0.16 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.681 0.753 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.762 0.234 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.605 ' CD1' HG13 ' A' ' 37' ' ' VAL . 25.3 p-90 -60.25 -40.46 90.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.585 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 3.2 mmpt? -36.83 -63.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -64.3 -41.36 96.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.5 t -46.51 -49.48 18.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.36 -46.99 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -55.46 -55.21 34.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.542 ' CZ3' ' HB3' ' A' ' 119' ' ' LEU . 26.3 t90 -48.52 -46.09 38.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.906 ' O ' HG22 ' A' ' 23' ' ' VAL . 60.9 mt -56.97 -49.05 76.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 81.0 mt -57.47 -44.99 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.687 ' HB3' HG23 ' A' ' 133' ' ' ILE . 43.4 m-70 -69.93 -30.84 68.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.477 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 53.1 m -73.98 -0.2 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt 66.5 50.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 18' ' ' LEU . 35.6 m -127.6 -29.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.934 HD22 ' CE1' ' A' ' 28' ' ' HIS . 72.8 mt -129.12 147.3 64.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.677 0.751 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.441 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.79 155.36 66.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.709 2.272 . . . . 0.0 112.295 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.9 p -68.18 -18.75 64.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -113.09 17.31 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.934 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.3 t-160 -46.76 168.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -77.94 -43.8 28.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -53.18 -30.13 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.426 HG23 ' HB3' ' A' ' 28' ' ' HIS . 51.5 p -60.34 -31.71 70.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -63.63 136.22 57.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -53.27 -45.42 68.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -49.24 -44.3 43.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.05 160.35 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 37' ' ' VAL . 59.1 mt-30 -140.47 165.12 28.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.605 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.4 m -35.18 -47.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.688 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 11.0 t80 -46.03 -63.87 0.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' PHE . 9.4 t0 -37.23 -55.18 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.568 HD11 ' CD1' ' A' ' 18' ' ' LEU . 60.1 tp -65.21 -32.93 74.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -75.42 -14.25 60.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.688 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 40.4 mt-30 -86.93 -49.51 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 t -56.06 -14.16 2.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.445 ' CD2' HD23 ' A' ' 49' ' ' LEU . 11.2 mt -113.1 -25.18 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.97 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -43.8 -36.13 2.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -65.3 -45.71 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.67 26.92 8.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.8 t -101.54 -38.5 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 0.0 111.145 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 52' ' ' GLN . 23.5 tp -76.1 -53.71 7.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' LEU . 9.5 mt -35.02 -56.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.661 ' SG ' HG21 ' A' ' 67' ' ' ILE . 59.8 m -50.0 -42.54 49.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 49' ' ' LEU . 30.1 mt-30 -56.38 -50.68 70.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.3 tp -39.72 -60.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.719 HD12 HD11 ' A' ' 62' ' ' ILE . 51.8 mt -57.73 -40.31 79.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -64.57 -23.53 67.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -80.18 -43.32 21.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.9 mt -70.5 -53.78 14.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.605 ' HB2' HG21 ' A' ' 127' ' ' ILE . 27.4 ttt-85 -116.61 155.63 28.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.55 146.83 23.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.057 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 60.86 30.9 19.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 m -76.53 -42.62 42.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.719 HD11 HD12 ' A' ' 54' ' ' LEU . 26.1 mt -149.88 141.34 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -90.95 110.71 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.462 HD23 HD11 ' A' ' 67' ' ' ILE . 54.6 mt -49.04 -37.31 20.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -64.43 -35.99 82.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -68.51 -22.05 64.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.661 HG21 ' SG ' ' A' ' 51' ' ' CYS . 23.9 pt -105.84 137.14 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -43.06 -44.19 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 80' ' ' LYS . 94.1 mt -71.72 -70.0 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 77' ' ' LEU . 82.9 m -34.38 -52.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.7 mt -59.25 -41.89 89.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -60.31 -56.92 15.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 84' ' ' THR . 39.9 m-20 -43.8 -63.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.633 ' CD1' HD23 ' A' ' 106' ' ' LEU . 84.5 mt -35.82 -55.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.802 ' HA ' HD12 ' A' ' 86' ' ' LEU . 65.3 mtt180 -51.75 -43.61 63.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 81' ' ' ASN . 58.1 m -52.67 -42.25 64.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -69.42 -42.16 75.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.802 HD12 ' HA ' ' A' ' 83' ' ' ARG . 10.1 mt -61.25 -29.78 70.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.706 HG22 ' HG3' ' A' ' 91' ' ' GLU . 25.1 m -73.64 -43.57 59.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.85 -41.1 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 14.6 m -56.28 -22.7 31.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.561 ' SG ' HD11 ' A' ' 100' ' ' LEU . 84.4 m -107.04 -19.03 13.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.706 ' HG3' HG22 ' A' ' 87' ' ' THR . 5.2 mm-40 -95.03 -58.13 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.472 ' CG2' ' HD3' ' A' ' 58' ' ' ARG . 87.9 m -69.08 -49.89 53.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.706 ' CE2' HD11 ' A' ' 122' ' ' LEU . 24.7 m-85 -90.92 -64.32 1.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 109.75 53.28 0.59 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.6 mtp -93.29 168.47 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.7 mmt-85 -78.36 124.24 27.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -68.46 -14.35 62.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.3 t -76.75 -8.51 57.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -108.93 -29.75 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.561 HD11 ' SG ' ' A' ' 90' ' ' CYS . 86.9 mt -54.75 160.59 1.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.74 ' CE2' HG13 ' A' ' 115' ' ' VAL . 48.4 p90 -92.37 165.11 13.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -88.19 136.24 33.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.502 ' HA ' HG21 ' A' ' 82' ' ' ILE . . . -43.14 -48.05 6.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' ASP . 12.2 t80 -63.12 -55.39 25.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 104' ' ' PHE . 3.0 t70 -37.32 -32.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.817 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.633 HD23 ' CD1' ' A' ' 82' ' ' ILE . 8.4 tp -89.91 -47.53 7.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -50.92 -65.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.05 -3.58 27.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.1 t 58.52 47.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -70.36 -73.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -117.0 94.53 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -68.47 -34.63 76.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.25 -32.17 28.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -68.98 -36.83 78.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.74 HG13 ' CE2' ' A' ' 101' ' ' PHE . 21.7 t -73.55 -34.11 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 29.6 mt -65.57 -52.15 54.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 120' ' ' SER . 7.2 tp10 -50.0 -47.55 52.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.7 m -42.51 -45.51 4.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.542 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 14.3 mt -69.64 -29.51 67.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 117' ' ' GLU . 38.8 m -61.17 -31.59 71.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -87.13 -44.77 11.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.706 HD11 ' CE2' ' A' ' 93' ' ' PHE . 7.7 tp -46.57 -55.38 7.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.561 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 76.5 p -39.72 -43.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -46.61 -43.62 17.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 122' ' ' LEU . 69.1 p -39.54 149.51 0.26 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.182 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -7.25 20.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.605 HG21 ' HB2' ' A' ' 58' ' ' ARG . 4.5 mp -88.51 -35.15 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -76.73 -43.93 35.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.03 -35.32 78.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.57 -46.85 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 47.4 p -62.16 -37.91 87.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.77 23.58 17.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.687 HG23 ' HB3' ' A' ' 20' ' ' HIS . 42.2 mt -79.82 138.13 20.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 111.161 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 133' ' ' ILE . 22.2 mmt180 -32.78 96.07 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.635 0.731 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.23 0.121 0 CA-C-O 120.715 0.214 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.597 ' CD1' HG13 ' A' ' 37' ' ' VAL . 15.9 p-90 -92.77 -43.99 8.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.492 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 22.8 mmtt -41.46 -43.21 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -81.6 -40.81 22.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.4 t -50.99 -39.58 55.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.91 -42.3 26.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -58.97 -61.77 2.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.49 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 12.2 t90 -42.26 -49.59 5.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.844 ' O ' HG22 ' A' ' 23' ' ' VAL . 64.8 mt -51.79 -54.37 29.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 77.0 mt -53.29 -43.69 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -73.11 -28.34 62.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.49 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 68.5 m -72.71 2.02 7.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.822 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt 66.2 46.62 2.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.844 HG22 ' O ' ' A' ' 18' ' ' LEU . 33.4 m -124.84 -29.32 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.003 HD22 ' CE1' ' A' ' 28' ' ' HIS . 81.6 mt -132.14 151.55 78.6 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.614 0.721 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.475 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 54.0 Cg_endo -69.71 167.47 24.29 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.2 p -74.72 -30.34 61.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -106.16 24.92 11.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 1.003 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.0 t-160 -51.25 -177.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 30' ' ' VAL . 9.2 ptp85 -88.15 -39.23 14.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.473 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 4.3 m -57.15 -20.45 12.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.9 p -74.97 -30.18 61.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -60.0 143.37 51.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.75 -34.79 77.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 t -62.68 -33.02 74.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.4 163.63 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 37' ' ' VAL . 80.0 mt-30 -148.84 161.01 42.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.597 HG13 ' CD1' ' A' ' 11' ' ' TRP . 5.0 m -33.95 -38.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -60.79 -57.23 13.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.47 -57.83 1.71 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.768 HD11 ' CD1' ' A' ' 18' ' ' LEU . 35.8 tp -67.04 -26.16 66.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.38 -23.14 50.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -77.53 -56.14 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.1 t -46.58 -23.95 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' GLY . 26.8 mt -102.09 -33.21 9.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' LEU . 13.3 ttt180 -37.9 -42.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.04 -45.1 83.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 94.32 31.36 8.02 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -107.56 -35.96 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 111.156 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.5 tp -78.95 -47.98 15.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.6 mt -37.78 -58.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.557 ' SG ' HG21 ' A' ' 67' ' ' ILE . 62.9 m -49.49 -42.64 44.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' LEU . 24.5 mt-30 -56.65 -52.0 66.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' GLN . 52.4 tp -34.33 -66.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.633 HD12 HD11 ' A' ' 62' ' ' ILE . 43.0 mt -53.13 -41.51 65.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -61.76 -27.85 69.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -76.42 -43.2 41.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.425 ' HB3' HG22 ' A' ' 127' ' ' ILE . 25.8 mt -70.66 -54.97 9.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.586 ' HB2' HG21 ' A' ' 127' ' ' ILE . 47.1 ttt-85 -116.76 156.95 26.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.47 146.72 23.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 62.37 29.35 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 m -75.59 -43.91 45.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.633 HD11 HD12 ' A' ' 54' ' ' LEU . 59.5 mt -148.99 121.3 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.156 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.478 ' HB3' ' CG ' ' A' ' 66' ' ' GLU . 44.1 t-20 -72.86 109.8 6.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 74.2 mt -47.58 -37.37 12.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -63.81 -32.17 73.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.478 ' CG ' ' HB3' ' A' ' 63' ' ' ASN . 11.2 mm-40 -68.52 -25.18 64.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.557 HG21 ' SG ' ' A' ' 51' ' ' CYS . 25.1 pt -102.86 140.69 20.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.926 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 25.4 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.855 0.36 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.55 -55.73 31.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.5 mt -65.2 -60.16 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 82.2 m -40.08 -62.01 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.1 mt -48.43 -51.56 26.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -60.62 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' THR . 70.8 m-20 -44.07 -64.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 81' ' ' ASN . 85.3 mt -34.49 -54.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -51.96 -44.85 64.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' ASN . 93.3 m -50.58 -44.43 56.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.09 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.91 -60.53 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.9 mt -47.29 -29.81 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.447 HG22 ' HG3' ' A' ' 91' ' ' GLU . 32.3 m -65.48 -57.07 9.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -53.07 -39.39 63.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.2 -19.26 2.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 69.2 m -113.09 -30.32 7.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.447 ' HG3' HG22 ' A' ' 87' ' ' THR . 8.6 mm-40 -89.67 -53.49 4.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 88' ' ' ALA . 63.6 m -68.26 -55.37 12.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -92.7 -62.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.58 62.26 0.69 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.401 ' SD ' ' OE2' ' A' ' 99' ' ' GLU . 25.1 mtm -107.84 160.27 15.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -57.55 96.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 19.7 ttmt -36.57 -41.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.5 p -51.19 -46.5 62.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 96' ' ' ARG . 4.0 pt-20 -56.21 -36.67 68.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 97' ' ' LYS . 23.0 mt -54.85 -179.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -113.09 176.56 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -79.14 -176.19 5.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.05 -33.19 10.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -81.3 -36.41 29.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.95 -46.05 42.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 27.5 tp -73.4 -54.91 7.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.506 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 22.2 t80 -49.56 -60.88 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -78.88 9.13 4.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 109' ' ' VAL . 6.7 t 40.82 44.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -69.72 -62.06 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -128.3 95.07 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 116' ' ' ILE . 21.5 t80 -70.6 -37.42 73.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.39 -37.29 8.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -65.94 -37.06 85.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.786 0.327 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.6 t -69.53 -41.54 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 112' ' ' PHE . 52.7 mt -59.91 -52.94 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 118' ' ' THR . 13.1 tm-20 -46.43 -58.91 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 117' ' ' GLU . 33.2 m -34.29 -50.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.202 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.68 -47.84 83.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 117' ' ' GLU . 47.9 t -42.06 -45.47 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -75.12 -44.47 46.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 125' ' ' THR . 15.9 tp -42.64 -48.62 5.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 90.3 p -42.31 -44.75 3.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -44.08 -39.66 4.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 122' ' ' LEU . 65.4 p -42.7 147.02 0.66 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.604 0.716 . . . . 0.0 111.134 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 0.76 5.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.706 2.27 . . . . 0.0 112.322 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -96.71 -37.72 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -71.92 -43.51 65.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.29 -40.7 81.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.27 -49.07 5.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.6 p -57.56 -39.53 76.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.99 21.74 11.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.3 mt -78.19 142.08 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 111.098 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -43.79 110.27 0.94 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.795 0.248 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.585 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 6.0 p-90 -65.22 -35.76 82.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.558 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 20.7 mmtt -59.84 -41.38 91.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -68.48 -49.82 56.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 15' ' ' ALA . 43.1 t -49.13 -51.69 30.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -35.18 -43.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -62.1 -58.32 8.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.55 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 29.7 t90 -46.42 -41.96 14.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.886 ' O ' HG22 ' A' ' 23' ' ' VAL . 18.3 mt -60.1 -53.36 58.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.3 mt -55.05 -38.14 45.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.499 ' HB3' HG23 ' A' ' 133' ' ' ILE . 31.1 m-70 -76.21 -31.76 58.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.55 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 65.6 m -71.11 0.4 7.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp 68.89 46.1 0.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.886 HG22 ' O ' ' A' ' 18' ' ' LEU . 29.5 m -122.96 -28.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.877 HD22 ' CE1' ' A' ' 28' ' ' HIS . 84.1 mt -133.91 149.01 70.58 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.573 0.702 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.515 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 54.1 Cg_endo -69.75 167.6 23.96 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.757 2.305 . . . . 0.0 112.332 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.6 p -73.83 -34.61 64.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -103.33 26.54 8.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.877 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.2 t-80 -51.28 -178.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -80.15 -31.3 38.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.7 m -68.73 -18.16 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.5 p -85.65 -23.53 27.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -51.59 154.87 1.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -67.56 -33.5 75.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 m -92.76 31.94 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -96.56 148.52 22.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' VAL . 48.7 mt-30 -141.99 160.47 40.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.585 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 6.7 m -34.22 -43.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.3 -58.12 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -39.97 -56.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.4 tp -67.17 -30.8 70.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.07 -25.59 62.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 44' ' ' LEU . 27.3 mt-30 -77.06 -63.77 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -42.61 -23.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 42' ' ' GLN . 31.7 mt -102.62 -31.19 10.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -40.12 -39.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -58.23 -49.91 75.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.38 28.07 8.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.6 t -104.97 -38.83 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 55.5 tp -74.12 -50.61 18.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' LEU . 14.1 mt -36.47 -54.61 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 53.0 m -54.84 -42.24 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' LEU . 27.2 mt-30 -56.45 -47.38 79.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' GLN . 68.5 tp -37.57 -59.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.927 HD22 ' CE1' ' A' ' 93' ' ' PHE . 78.0 mt -58.37 -47.24 84.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -54.67 -26.77 35.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -78.54 -46.23 20.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.3 mt -68.3 -55.01 13.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.468 ' HB2' HG21 ' A' ' 127' ' ' ILE . 11.2 ttt180 -115.02 158.78 21.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.76 148.74 21.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 58.48 34.54 24.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 m -80.6 -44.4 19.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.458 HD11 HD12 ' A' ' 54' ' ' LEU . 64.2 mt -147.98 127.09 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -77.85 105.91 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 74.5 mt -43.96 -34.09 1.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -64.24 -39.18 93.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.64 -29.91 70.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.595 HG23 HG21 ' A' ' 84' ' ' THR . 22.9 pt -100.55 140.24 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.502 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 45.1 tt0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -49.36 -55.91 11.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 78' ' ' CYS . 46.5 mt -66.79 -65.54 0.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 77' ' ' LEU . 85.6 m -34.55 -57.24 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.8 mt -50.79 -56.79 10.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.04 -55.01 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 82' ' ' ILE . 9.9 m-20 -48.38 -66.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 81' ' ' ASN . 83.7 mt -34.41 -51.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -52.63 -53.75 42.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.813 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.595 HG21 HG23 ' A' ' 67' ' ' ILE . 89.5 m -40.09 -42.33 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -64.22 -67.19 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 101' ' ' PHE . 7.0 mt -42.91 -28.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.1 m -64.68 -56.59 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -53.73 -37.71 63.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 73.0 m -49.52 -28.11 5.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 14.5 t -105.94 -24.79 12.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.93 -59.45 2.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 88' ' ' ALA . 86.2 m -63.76 -54.34 36.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.927 ' CE1' HD22 ' A' ' 54' ' ' LEU . 37.9 m-85 -92.71 -64.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.66 59.27 0.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.431 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.407 ' HE3' HD21 ' A' ' 100' ' ' LEU . 37.7 mtm -99.08 175.28 5.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -77.6 105.75 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -34.22 4.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.9 t -59.05 -35.23 72.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.92 -37.38 64.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.407 HD21 ' HE3' ' A' ' 95' ' ' MET . 76.3 mt -52.83 158.79 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.698 ' CE2' HG13 ' A' ' 115' ' ' VAL . 42.9 p90 -88.3 170.5 10.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -91.15 126.07 36.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.58 -41.68 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 105' ' ' ASP . 12.0 t80 -61.94 -58.96 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 104' ' ' PHE . 80.5 m-20 -36.67 -40.49 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.7 tp -73.51 -52.61 12.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.502 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 22.5 t80 -57.18 -57.39 12.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 109' ' ' VAL . 1.7 t70 -78.81 10.23 3.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' ASP . 3.5 t 37.45 48.78 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -74.69 -66.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -127.58 94.93 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -65.95 -42.1 90.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -44.15 -34.39 3.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.7 mtpt -63.58 -37.01 85.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.698 HG13 ' CE2' ' A' ' 101' ' ' PHE . 61.8 t -71.79 -40.31 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 55.8 mt -58.23 -46.96 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -52.36 -49.96 63.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 98.3 m -44.3 -51.18 8.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.8 mt -62.13 -40.77 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.8 t -50.0 -38.47 37.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 122' ' ' LEU . 38.6 mtp180 -81.61 -53.23 6.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 125' ' ' THR . 32.0 tp -37.15 -51.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.553 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 89.9 p -42.53 -47.43 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -42.57 -39.74 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 122' ' ' LEU . 76.6 p -40.21 149.08 0.31 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.545 0.688 . . . . 0.0 111.159 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.08 11.29 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.242 . . . . 0.0 112.345 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.468 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -93.29 -45.31 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -65.23 -40.87 94.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.1 mt -73.27 -38.72 65.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.19 -43.69 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 42.9 p -62.35 -39.07 91.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.48 25.32 13.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.499 HG23 ' HB3' ' A' ' 20' ' ' HIS . 73.6 mt -83.02 138.23 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.362 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 133' ' ' ILE . 26.3 mmt180 -32.72 95.67 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 133' ' ' ILE . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.708 0.212 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.628 ' CD1' HG13 ' A' ' 37' ' ' VAL . 5.7 p-90 -95.81 -36.91 10.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -53.44 -48.92 68.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -69.15 -48.94 61.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.2 t -41.23 -45.86 2.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.682 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -41.21 -45.51 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -55.27 -66.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.546 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 30.1 t90 -42.03 -40.22 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.83 ' O ' HG22 ' A' ' 23' ' ' VAL . 20.6 mt -61.66 -52.53 63.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.2 mt -56.73 -36.33 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -77.89 -30.96 51.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.546 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 57.3 m -71.92 0.52 9.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt 67.76 50.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.7 m -128.37 -29.92 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.994 HD22 ' CE1' ' A' ' 28' ' ' HIS . 67.4 mt -130.46 146.76 63.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.721 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.472 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.5 Cg_endo -69.7 154.88 67.43 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.0 p -65.32 -27.01 68.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -108.34 22.87 15.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.994 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.8 t-80 -49.25 177.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.08 -16.57 35.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.3 m -82.03 -13.49 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.0 p -83.01 -21.72 33.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -57.45 149.82 20.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -72.55 -15.34 61.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -101.3 21.55 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -95.11 158.64 15.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.077 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -139.22 162.14 35.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.628 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.7 m -37.89 -49.39 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.696 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 11.4 t80 -42.79 -62.55 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -38.49 -58.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.5 HD11 HD13 ' A' ' 18' ' ' LEU . 51.6 tp -64.95 -24.42 67.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -78.96 -26.35 43.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.696 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 52.3 mt-30 -73.82 -56.62 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.663 HG23 ' HG ' ' A' ' 44' ' ' LEU . 12.4 t -45.33 -27.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.165 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.663 ' HG ' HG23 ' A' ' 43' ' ' THR . 14.9 mt -102.92 -24.18 13.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -44.65 -31.91 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -53.9 16.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.19 19.24 9.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.48 -34.4 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' GLN . 20.7 tp -76.43 -52.39 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.99 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.552 HD22 ' CE2' ' A' ' 85' ' ' PHE . 12.0 mt -36.18 -56.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.541 ' SG ' HG21 ' A' ' 67' ' ' ILE . 86.7 m -52.4 -41.12 62.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' LEU . 25.8 mt-30 -57.18 -52.01 67.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 tp -38.64 -64.89 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.864 HD12 HD11 ' A' ' 62' ' ' ILE . 51.3 mt -51.17 -41.49 60.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 79.1 m-20 -64.33 -31.19 72.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -72.96 -44.4 61.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.65 -54.25 21.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.801 ' HB2' HG21 ' A' ' 127' ' ' ILE . 10.7 ttt85 -118.25 155.33 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.0 145.5 25.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 60.65 34.63 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -79.91 -43.38 22.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.864 HD11 HD12 ' A' ' 54' ' ' LEU . 36.6 mt -151.03 121.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -73.88 111.72 9.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.567 HD23 HD11 ' A' ' 67' ' ' ILE . 78.5 mt -47.95 -37.21 13.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -57.92 -40.33 80.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -62.4 -27.59 69.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.567 HD11 HD23 ' A' ' 64' ' ' LEU . 26.3 pt -103.56 138.9 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.518 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 33.9 tt0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.835 0.35 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -63.94 -46.56 84.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.8 mt -71.4 -56.95 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 60.7 m -46.36 -57.86 4.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.3 mt -51.63 -55.85 16.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -49.01 -54.5 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 82' ' ' ILE . 61.4 m-20 -45.39 -66.93 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 81' ' ' ASN . 81.8 mt -34.98 -59.15 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -43.13 -53.42 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.53 HG21 ' CG2' ' A' ' 67' ' ' ILE . 88.5 m -42.55 -49.11 5.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.552 ' CE2' HD22 ' A' ' 50' ' ' LEU . 8.9 t80 -59.95 -51.01 71.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.563 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 23.7 mt -59.33 -28.98 67.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 87.5 m -63.85 -64.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -48.1 -42.62 29.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.3 m -43.63 -23.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.406 ' N ' ' C ' ' A' ' 88' ' ' ALA . 46.6 m -106.11 -23.07 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 88' ' ' ALA . 4.7 mt-10 -93.68 -64.62 1.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.9 m -64.92 -43.09 93.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.553 ' CD2' HD11 ' A' ' 122' ' ' LEU . 7.0 m-85 -97.1 -63.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.04 73.95 1.21 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 65.5 mtp -121.54 173.64 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.775 0.322 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.469 ' HB2' ' CG ' ' A' ' 99' ' ' GLU . 51.7 mtt85 -65.68 114.89 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -57.74 -31.83 66.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.0 p -66.57 -25.77 66.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.786 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 96' ' ' ARG . 5.7 mm-40 -74.57 -41.65 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.43 ' HB3' HD22 ' A' ' 86' ' ' LEU . 27.2 mt -48.37 166.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.854 ' CE2' HG13 ' A' ' 115' ' ' VAL . 43.7 p90 -96.02 178.19 5.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -94.48 141.75 28.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.11 -44.17 61.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 108' ' ' ASP . 4.3 t80 -72.37 -48.39 42.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -38.6 -35.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.476 HD13 HG21 ' A' ' 115' ' ' VAL . 23.7 tp -90.5 -47.79 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.518 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 11.3 t80 -51.36 -69.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.509 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 3.6 t0 -67.97 -9.17 43.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.0 t 66.87 37.05 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -61.31 -65.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -131.02 96.23 4.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -70.59 -36.38 73.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.48 -29.63 17.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -68.67 -36.23 78.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.854 HG13 ' CE2' ' A' ' 101' ' ' PHE . 20.8 t -73.93 -37.86 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 49.4 mt -61.23 -47.82 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -49.67 -51.75 35.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.2 m -43.84 -44.02 6.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.76 -31.32 64.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.1 t -60.29 -38.65 84.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -89.54 -34.51 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.553 HD11 ' CD2' ' A' ' 93' ' ' PHE . 44.6 tp -50.49 -49.18 56.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 79.9 p -43.32 -33.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.3 mtt-85 -52.72 -42.53 64.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 76.7 p -40.23 149.94 0.28 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.625 0.726 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -5.56 16.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.801 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -90.61 -38.89 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -70.51 -43.43 69.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 132' ' ' GLY . 54.3 mt -69.84 -39.33 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -39.69 -49.72 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 36.3 p -55.06 -36.9 66.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 100.37 20.36 15.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.6 mt -79.77 135.51 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -45.91 132.33 6.93 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.309 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.764 0.235 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.544 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 12.1 p-90 -95.66 -40.02 9.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.413 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 24.6 mmtt -43.87 -47.0 8.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -77.58 -36.39 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.4 t -51.54 -41.8 61.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.99 -42.81 8.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -59.06 -63.01 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 20.6 t90 -40.35 -43.43 1.76 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.821 ' O ' HG22 ' A' ' 23' ' ' VAL . 81.1 mt -58.57 -51.23 70.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.3 mt -58.12 -41.18 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.724 ' HB3' HG23 ' A' ' 133' ' ' ILE . 36.7 m-70 -74.12 -26.98 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 89.1 m -79.03 7.96 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? 57.05 47.96 16.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.821 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.1 m -125.83 -25.2 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.905 HD22 ' CE1' ' A' ' 28' ' ' HIS . 74.4 mt -136.32 147.79 61.6 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.461 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.6 Cg_endo -69.75 148.95 66.28 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.688 2.258 . . . . 0.0 112.31 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.1 p -62.09 -22.71 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -110.55 20.59 17.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.905 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.5 t-80 -49.42 171.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -81.08 -20.8 40.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 m -74.99 -22.95 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -69.99 -35.39 74.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -54.34 140.56 33.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.01 -48.78 77.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 m -47.69 -31.98 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.63 166.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -149.9 163.11 38.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.544 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 6.6 m -40.76 -41.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.678 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 9.8 t80 -54.57 -62.61 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' PHE . 60.5 m-20 -37.27 -58.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.715 HD11 HD11 ' A' ' 18' ' ' LEU . 46.2 tp -62.15 -29.07 70.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -78.83 -13.35 59.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.678 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 42.1 mt-30 -87.66 -51.38 5.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -53.82 -20.02 5.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.9 mt -106.89 -21.6 12.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -47.12 -43.2 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.78 -49.35 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.8 26.08 8.73 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.9 t -107.33 -36.57 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.9 tp -76.08 -51.89 11.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -39.76 -50.91 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.414 ' HA ' HD12 ' A' ' 62' ' ' ILE . 99.9 m -55.84 -41.97 75.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' LEU . 23.6 mt-30 -57.87 -49.8 75.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.465 HD21 ' CH2' ' A' ' 17' ' ' TRP . 24.1 tp -37.98 -53.22 1.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.859 HD12 HD11 ' A' ' 62' ' ' ILE . 24.7 mt -63.5 -45.33 91.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -58.09 -21.69 47.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -81.17 -48.64 11.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.7 mt -69.47 -51.42 36.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.442 ' HD2' HG22 ' A' ' 92' ' ' THR . 15.8 ttt-85 -114.76 155.92 25.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.599 ' O ' ' CD2' ' A' ' 60' ' ' HIS . . . -89.87 152.01 21.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 59' ' ' ALA . 28.3 p80 48.93 38.12 11.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.442 ' HB3' HG21 ' A' ' 92' ' ' THR . 1.1 m -80.38 -33.87 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.859 HD11 HD12 ' A' ' 54' ' ' LEU . 54.8 mt -156.1 127.47 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 66' ' ' GLU . 64.2 t-20 -76.89 106.12 8.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.5 mt -46.8 -30.11 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -73.33 -32.76 64.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' ASN . 18.8 mm-40 -69.98 -21.74 63.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 9.2 pt -106.56 130.98 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.153 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.499 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 51.5 tt0 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.859 0.362 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' GLN . 4.3 t80 -35.82 -48.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.7 mt -72.32 -57.54 4.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 10.4 t -44.1 -59.27 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 mt -46.68 -59.42 3.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 83' ' ' ARG . 1.2 tmmm? -50.18 -56.0 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 80' ' ' LYS . 62.9 m-20 -36.96 -50.49 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.5 mt -60.84 -37.78 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 80' ' ' LYS . 10.1 mmt85 -48.29 -62.76 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 m -39.6 -60.67 0.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -44.81 -51.29 9.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.7 mt -61.99 -29.01 69.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.525 HG22 ' HG3' ' A' ' 91' ' ' GLU . 27.0 m -74.75 -44.09 51.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.64 -21.13 66.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.4 m -68.44 -16.61 63.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 37.4 t -121.08 -18.36 7.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.525 ' HG3' HG22 ' A' ' 87' ' ' THR . 7.5 mm-40 -95.02 -43.8 7.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.442 HG21 ' HB3' ' A' ' 61' ' ' SER . 86.1 m -84.35 -44.71 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.475 ' CE2' HD11 ' A' ' 122' ' ' LEU . 35.3 m-85 -97.93 -61.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.03 64.22 0.81 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.546 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.403 ' SD ' ' CD ' ' A' ' 99' ' ' GLU . 10.1 ptp -110.44 -177.67 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.836 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -69.1 96.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -47.76 -19.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.8 m -77.84 -37.38 48.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.425 ' OE2' ' CD ' ' A' ' 121' ' ' ARG . 4.7 pt-20 -62.84 -30.43 71.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.403 ' CD2' ' SD ' ' A' ' 95' ' ' MET . 25.8 mt -52.4 166.38 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.857 ' CE2' HG13 ' A' ' 115' ' ' VAL . 41.5 p90 -99.5 166.69 11.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -81.5 131.7 35.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -45.92 -36.82 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 10.7 t80 -72.32 -51.55 20.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 105' ' ' ASP . 0.6 OUTLIER -38.23 -43.26 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.2 tp -79.1 -51.13 9.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.499 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 10.8 t80 -47.83 -59.02 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -82.1 -12.24 58.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.9 t 67.21 38.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -59.85 -62.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -132.22 91.49 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -62.23 -36.6 82.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.11 -36.27 7.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -67.61 -37.46 82.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.857 HG13 ' CE2' ' A' ' 101' ' ' PHE . 21.7 t -69.95 -38.47 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 41.6 mt -63.13 -48.6 86.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -50.99 -47.77 61.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.5 m -43.86 -44.52 6.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.1 mt -70.66 -44.28 67.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -45.18 -29.91 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.425 ' CD ' ' OE2' ' A' ' 99' ' ' GLU . 45.0 mtt180 -92.43 -52.32 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 125' ' ' THR . 34.6 tp -37.05 -41.78 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.563 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 59.6 p -54.48 -47.99 72.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 121' ' ' ARG . 24.4 mmt-85 -39.7 -31.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 122' ' ' LEU . 58.7 p -51.58 151.1 6.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 0.0 111.108 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.49 ' O ' ' HB2' ' A' ' 130' ' ' ALA . 53.4 Cg_endo -69.82 -5.37 16.09 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.313 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.414 HG21 ' HB2' ' A' ' 58' ' ' ARG . 4.6 mp -88.99 -33.04 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -82.22 -47.65 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.83 -35.17 80.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 126' ' ' PRO . . . -48.63 -51.18 29.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 31.8 p -56.81 -37.64 71.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.47 19.57 20.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.724 HG23 ' HB3' ' A' ' 20' ' ' HIS . 60.7 mt -75.27 137.7 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.428 ' HA ' ' HD2' ' A' ' 135' ' ' PRO . 94.3 mtt180 -36.54 98.81 0.16 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.632 0.73 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.296 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.739 0.225 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.602 ' CD1' HG13 ' A' ' 37' ' ' VAL . 16.6 p-90 -60.33 -31.58 70.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -52.7 -68.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -56.6 -41.06 76.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.8 t -45.6 -43.14 11.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.595 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -46.28 -43.89 16.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -55.33 -63.28 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.541 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 43.5 t90 -40.06 -45.03 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.704 ' O ' HG22 ' A' ' 23' ' ' VAL . 20.6 mt -58.47 -52.55 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.8 mt -53.26 -39.56 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -73.91 -38.28 64.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.541 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 58.1 m -65.63 -5.86 9.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt 72.47 51.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 18' ' ' LEU . 5.3 m -127.63 -31.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.012 HD22 ' CE1' ' A' ' 28' ' ' HIS . 69.4 mt -128.44 148.79 69.54 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.604 0.716 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.546 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.81 156.54 62.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.24 . . . . 0.0 112.349 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.5 p -66.48 -27.97 68.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -105.89 18.72 21.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 1.012 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.8 t-80 -45.67 170.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -77.4 -47.23 20.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.5 m -50.82 -31.54 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.48 HG23 ' HB3' ' A' ' 28' ' ' HIS . 38.9 p -55.72 -44.69 77.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -50.43 145.73 6.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -65.75 -27.55 68.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 m -64.17 -35.82 82.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.88 159.38 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' VAL . 65.3 mt-30 -142.58 166.06 25.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.602 HG13 ' CD1' ' A' ' 11' ' ' TRP . 4.7 m -35.93 -40.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -57.47 -64.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -39.72 -56.44 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.4 tp -66.57 -22.67 66.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -80.54 -25.16 38.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -77.23 -53.45 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.578 HG23 ' HG ' ' A' ' 44' ' ' LEU . 14.2 t -46.5 -21.32 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.578 ' HG ' HG23 ' A' ' 43' ' ' THR . 12.9 mt -110.08 -27.67 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.971 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' LEU . 19.0 ttt180 -37.29 -44.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.45 -44.23 84.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 96.35 13.86 46.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.479 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.7 t -87.35 -33.42 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 111.184 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.501 HD23 ' CD2' ' A' ' 44' ' ' LEU . 13.9 tp -77.28 -53.79 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.3 mt -35.96 -56.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.696 ' HA ' HD12 ' A' ' 62' ' ' ILE . 67.3 m -50.22 -41.9 50.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' LEU . 12.1 mt-30 -60.17 -53.19 60.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' GLN . 30.1 tp -36.17 -59.74 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.728 HD12 HD11 ' A' ' 62' ' ' ILE . 50.1 mt -58.3 -36.95 74.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' GLN . 90.0 m-20 -65.85 -24.53 66.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -78.53 -44.47 24.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.8 mt -68.39 -52.91 27.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.586 ' HB2' HG21 ' A' ' 127' ' ' ILE . 25.4 ttt-85 -117.66 159.3 23.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.31 143.47 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 62.33 31.43 17.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.443 ' HB3' HG21 ' A' ' 92' ' ' THR . 1.5 m -75.19 -46.62 32.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.728 HD11 HD12 ' A' ' 54' ' ' LEU . 42.5 mt -143.09 121.3 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -70.21 107.84 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.465 HD23 HD11 ' A' ' 67' ' ' ILE . 84.7 mt -49.81 -29.18 7.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -71.38 -33.49 69.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -70.37 -21.73 62.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.472 HG21 ' SG ' ' A' ' 51' ' ' CYS . 19.0 pt -106.62 142.07 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.434 ' ND2' HD22 ' A' ' 77' ' ' LEU . 54.1 m-80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.866 0.365 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -60.9 -60.57 3.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.434 HD22 ' ND2' ' A' ' 68' ' ' ASN . 71.6 mt -56.9 -62.46 1.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 77' ' ' LEU . 82.7 m -37.18 -59.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.7 mt -52.12 -43.24 63.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -51.32 69.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -50.4 -62.53 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.7 mt -37.76 -56.65 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -46.43 -48.08 18.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.6 m -47.91 -41.13 23.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -66.31 -53.99 30.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 30.8 mt -55.07 -30.74 60.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.518 HG22 ' HG3' ' A' ' 91' ' ' GLU . 20.2 m -73.36 -45.83 52.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.98 -18.3 59.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.4 m -69.74 -24.01 63.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 56.1 m -110.59 -17.63 13.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.518 ' HG3' HG22 ' A' ' 87' ' ' THR . 6.4 mm-40 -92.3 -50.31 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.443 HG21 ' HB3' ' A' ' 61' ' ' SER . 90.6 m -77.28 -55.43 5.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.598 ' CE2' HD11 ' A' ' 122' ' ' LEU . 13.2 m-85 -86.94 -58.39 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.3 65.52 0.9 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.1 ptp -111.75 -176.33 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -71.09 129.85 40.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -86.01 29.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.0 m -119.34 -28.88 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.732 ' OE2' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -80.27 -23.99 40.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.732 HD23 ' OE2' ' A' ' 99' ' ' GLU . 58.0 mt -51.76 161.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.703 ' CE2' HG13 ' A' ' 115' ' ' VAL . 36.8 p90 -98.91 164.72 12.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -83.58 122.17 28.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -38.82 -40.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -64.59 -50.17 68.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -43.83 -36.35 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.417 HD13 HG21 ' A' ' 115' ' ' VAL . 24.7 tp -80.23 -57.8 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -45.68 -66.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.61 -4.11 14.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.2 t 56.67 33.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -54.72 -74.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -122.23 89.51 3.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -58.34 -38.63 77.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.66 -31.5 5.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -66.85 -36.97 83.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.703 HG13 ' CE2' ' A' ' 101' ' ' PHE . 21.3 t -73.1 -37.0 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 26.9 mt -62.35 -46.71 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -53.29 -51.65 61.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.3 m -40.29 -47.94 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.58 -40.14 95.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.7 t -52.63 -36.24 56.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.1 mtp85 -82.07 -47.68 12.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.598 HD11 ' CE2' ' A' ' 93' ' ' PHE . 16.1 tp -48.72 -46.99 41.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 72.0 p -46.22 -24.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -68.0 -41.96 81.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 58.5 p -39.05 149.55 0.24 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 2.0 3.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -96.69 -39.52 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.39 -40.74 50.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.403 ' CD2' ' HB3' ' A' ' 135' ' ' PRO . 73.8 mt -69.96 -36.36 75.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.77 -49.87 10.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.0 p -57.01 -34.43 68.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.9 23.56 25.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.474 ' O ' ' C ' ' A' ' 134' ' ' ARG . 57.1 mt -79.84 135.92 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.146 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 133' ' ' ILE . 47.5 mtp85 -32.23 95.71 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.634 0.73 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.672 2.248 . . . . 0.0 112.299 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.795 0.248 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.774 ' CD1' HG13 ' A' ' 37' ' ' VAL . 6.5 p-90 -83.73 -33.77 25.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -52.19 -46.02 65.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -75.18 -41.66 57.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.6 t -47.87 -46.81 31.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.95 -43.75 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' TRP . 9.9 mm-40 -57.4 -66.73 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.547 ' CH2' HD21 ' A' ' 53' ' ' LEU . 30.1 t90 -35.79 -49.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.83 ' O ' HG22 ' A' ' 23' ' ' VAL . 26.5 mt -54.68 -53.77 50.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.425 HD11 ' CG2' ' A' ' 31' ' ' THR . 69.9 mt -53.32 -42.04 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.656 ' HB3' HG23 ' A' ' 133' ' ' ILE . 51.6 m-70 -73.19 -31.97 64.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.542 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 56.0 m -72.85 2.04 7.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm 65.41 45.89 2.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 18' ' ' LEU . 16.6 m -122.4 -25.48 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.046 HD22 ' CE1' ' A' ' 28' ' ' HIS . 86.6 mt -134.74 148.88 69.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 54.0 Cg_endo -69.73 166.91 25.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.331 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.9 p -74.46 -30.87 62.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -106.73 26.24 10.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 1.046 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.1 t-160 -50.8 -176.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.79 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -93.26 -18.55 22.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.4 -32.6 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.425 ' CG2' HD11 ' A' ' 19' ' ' ILE . 69.3 p -66.28 -37.38 85.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -51.95 134.77 31.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -51.63 -38.13 53.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -58.58 -43.28 89.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.79 ' HB2' ' O ' ' A' ' 29' ' ' ARG . . . -43.76 162.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 37' ' ' VAL . 86.0 mt-30 -151.94 161.35 42.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.774 HG13 ' CD1' ' A' ' 11' ' ' TRP . 1.7 m -33.57 -49.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.42 ' CE1' HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -49.08 -59.0 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -42.3 -59.56 1.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.6 tp -62.42 -25.13 67.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.53 -20.67 43.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.079 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -81.58 -53.63 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.3 t -50.21 -25.08 3.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' ARG . 36.2 mt -101.61 -31.73 10.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 44' ' ' LEU . 16.5 ttt180 -37.25 -45.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -54.03 -50.19 67.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.91 26.81 7.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.5 t -102.12 -35.93 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 111.132 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 52' ' ' GLN . 45.5 tp -82.35 -49.72 9.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -37.43 -52.83 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.628 ' SG ' HD13 ' A' ' 62' ' ' ILE . 6.5 m -55.37 -42.55 74.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' LEU . 32.8 mt-30 -53.9 -50.46 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.547 HD21 ' CH2' ' A' ' 17' ' ' TRP . 43.6 tp -36.16 -65.55 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.605 HD12 HD11 ' A' ' 62' ' ' ILE . 45.4 mt -52.12 -45.93 65.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -56.13 -30.57 62.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -75.45 -43.65 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.2 mt -68.62 -55.74 10.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.601 ' HB2' HG21 ' A' ' 127' ' ' ILE . 9.1 ttt85 -115.45 157.55 23.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.0 145.24 24.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 61.95 33.64 17.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.5 m -78.37 -44.57 24.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.628 HD13 ' SG ' ' A' ' 51' ' ' CYS . 61.1 mt -147.85 144.57 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.156 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 63' ' ' ASN . 17.6 t-20 -95.45 110.9 22.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.627 HD23 HD11 ' A' ' 67' ' ' ILE . 95.0 mt -48.67 -43.91 37.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' HE3' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -54.67 -39.94 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' HG3' ' ND2' ' A' ' 63' ' ' ASN . 17.4 mt-10 -65.59 -24.57 67.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.627 HD11 HD23 ' A' ' 64' ' ' LEU . 15.0 pt -106.11 134.94 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.901 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 107' ' ' PHE . 38.0 tt0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.854 0.359 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -66.02 -58.6 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.3 mt -55.92 -47.94 76.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.0 m -55.19 -62.64 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.0 mt -46.81 -45.71 20.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -53.55 55.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -46.74 -58.32 3.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.7 mt -43.9 -50.33 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mtp-105 -51.9 -44.43 63.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.1 m -51.67 -50.19 60.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -58.81 -66.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.616 HD21 ' CE1' ' A' ' 101' ' ' PHE . 30.1 mt -38.05 -37.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.717 HG22 ' HG3' ' A' ' 91' ' ' GLU . 85.5 m -63.4 -54.26 39.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.02 -42.03 60.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 69.7 m -48.47 -21.77 0.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 9.6 t -113.32 -27.08 8.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.717 ' HG3' HG22 ' A' ' 87' ' ' THR . 13.4 mt-10 -83.18 -54.18 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.8 m -72.63 -48.19 41.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.433 ' CD2' HD13 ' A' ' 127' ' ' ILE . 19.0 m-85 -94.56 -69.28 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.92 56.15 0.59 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 12.1 ptm -104.46 172.76 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.722 0.296 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -65.05 116.76 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -58.48 -43.65 89.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.8 p -48.24 -34.68 10.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -66.56 -42.84 86.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.7 mt -47.96 168.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CE2' HG13 ' A' ' 115' ' ' VAL . 37.4 p90 -97.01 176.83 5.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -92.84 142.7 27.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.82 -56.75 10.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 105' ' ' ASP . 7.6 t80 -59.1 -54.02 51.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -34.68 -43.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.57 HD13 HG21 ' A' ' 115' ' ' VAL . 33.5 tp -80.99 -44.26 18.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.526 ' CZ ' ' HG3' ' A' ' 75' ' ' GLN . 20.5 t80 -54.28 -56.3 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.77 18.66 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 109' ' ' VAL . 9.0 t 39.11 36.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -56.45 -65.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -131.27 89.02 2.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -61.95 -39.37 91.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.88 -37.29 4.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -64.02 -37.21 86.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.623 HG13 ' CE2' ' A' ' 101' ' ' PHE . 37.3 t -71.2 -40.43 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.6 -48.58 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -52.1 -49.69 63.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 93.9 m -41.14 -50.22 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.9 mt -60.64 -44.15 96.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.0 t -49.96 -42.07 47.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -78.22 -40.87 36.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.2 tp -57.83 -34.28 69.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 27.8 p -59.56 -29.7 68.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 124' ' ' ARG . 5.4 mmm180 -60.16 -40.23 89.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 82.5 p -38.42 149.61 0.21 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.564 0.697 . . . . 0.0 111.153 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.414 ' O ' ' HB2' ' A' ' 130' ' ' ALA . 54.0 Cg_endo -69.77 1.62 4.28 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.633 2.222 . . . . 0.0 112.352 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.601 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.0 mp -97.31 -42.23 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -68.47 -39.77 81.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 49.7 mt -75.56 -36.25 60.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 126' ' ' PRO . . . -46.29 -43.88 16.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 35.7 p -63.85 -37.29 86.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.6 27.22 11.84 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.656 HG23 ' HB3' ' A' ' 20' ' ' HIS . 66.0 mt -85.38 142.14 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 133' ' ' ILE . 67.0 mtp180 -34.02 97.07 0.11 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.199 0 C-N-CA 122.639 2.226 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.122 0 CA-C-O 120.767 0.236 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.733 ' CD1' HG13 ' A' ' 37' ' ' VAL . 6.8 p-90 -87.15 -37.97 16.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -48.97 -49.65 39.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -71.31 -43.61 66.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.8 t -43.87 -50.37 7.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -38.6 -44.14 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -56.58 -66.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.549 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 25.3 t90 -39.02 -44.94 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.829 ' O ' HG22 ' A' ' 23' ' ' VAL . 51.9 mt -57.5 -53.82 53.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.1 mt -53.57 -40.77 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -74.17 -32.6 63.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.549 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 87.9 m -71.11 -0.54 9.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp 67.82 49.29 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.829 HG22 ' O ' ' A' ' 18' ' ' LEU . 27.8 m -125.13 -27.04 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.948 HD22 ' CE1' ' A' ' 28' ' ' HIS . 91.2 mt -133.77 151.94 77.9 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.493 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.6 Cg_endo -69.8 163.8 36.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.4 p -71.62 -29.7 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -105.56 21.71 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.948 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.3 t-160 -48.24 170.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.786 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -77.41 -43.72 31.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 m -51.26 -31.08 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 p -63.04 -42.39 99.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 14.3 m95 -49.57 128.38 17.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -48.97 -39.09 25.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.807 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 m -56.31 -40.39 74.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.422 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -46.5 163.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.422 ' HG3' ' C ' ' A' ' 35' ' ' ALA . 34.6 mt-30 -149.42 165.65 31.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.733 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.5 m -36.08 -51.26 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.444 ' H ' HG23 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -46.84 -60.01 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.2 -59.98 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.4 tp -63.37 -27.4 69.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.56 -21.41 57.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -81.68 -55.72 4.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.546 HG23 ' HG ' ' A' ' 44' ' ' LEU . 14.2 t -48.41 -22.92 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.589 ' CD2' HD23 ' A' ' 49' ' ' LEU . 21.3 mt -104.14 -29.74 10.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -40.01 -41.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -57.26 -47.01 82.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.23 20.15 26.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.1 t -97.76 -31.22 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 111.095 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.589 HD23 ' CD2' ' A' ' 44' ' ' LEU . 53.4 tp -80.04 -45.52 18.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -40.27 -57.48 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.781 ' SG ' HG21 ' A' ' 67' ' ' ILE . 67.9 m -50.12 -42.85 51.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -56.32 -46.21 79.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.0 tp -42.76 -64.18 0.66 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.552 HD22 ' CE1' ' A' ' 93' ' ' PHE . 81.8 mt -55.71 -44.01 77.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 60.1 m-20 -60.53 -24.07 65.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -80.7 -45.11 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.1 mt -68.95 -51.4 40.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.404 ' HB2' HG21 ' A' ' 127' ' ' ILE . 12.4 ttt85 -116.9 157.77 25.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.18 140.03 30.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.6 m170 64.84 33.8 9.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -76.8 -45.88 27.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 51' ' ' CYS . 68.5 mt -147.92 135.76 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 65' ' ' LYS . 22.8 t-20 -82.24 118.6 23.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.485 HD23 HD11 ' A' ' 67' ' ' ILE . 88.7 mt -55.14 -44.96 75.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -56.62 -35.16 67.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.85 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.95 -27.11 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.781 HG21 ' SG ' ' A' ' 51' ' ' CYS . 21.5 pt -101.46 130.05 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 43.0 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.861 0.362 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -71.59 -47.27 55.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.84 -51.59 68.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 93.4 m -57.98 -61.43 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.9 mt -45.84 -46.29 15.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.52 -57.17 11.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -44.0 -61.68 1.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.716 HD13 HD23 ' A' ' 106' ' ' LEU . 87.9 mt -38.93 -55.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -47.01 -46.59 21.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.1 m -48.14 -41.44 26.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -66.26 -62.4 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.0 mt -45.62 -30.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.558 HG22 ' HG3' ' A' ' 91' ' ' GLU . 21.9 m -65.81 -56.08 13.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -55.02 -35.69 64.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.58 -21.56 17.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 44.8 t -112.4 -28.73 7.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.558 ' HG3' HG22 ' A' ' 87' ' ' THR . 8.8 mm-40 -89.18 -54.0 4.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 88' ' ' ALA . 71.3 m -68.68 -58.15 4.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.552 ' CE1' HD22 ' A' ' 54' ' ' LEU . 6.6 m-85 -88.71 -66.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.59 60.51 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.513 ' SD ' HD21 ' A' ' 100' ' ' LEU . 25.2 ptm -104.68 165.78 10.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 96' ' ' ARG . 0.5 OUTLIER -56.91 101.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -50.21 -31.04 12.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.2 t -61.61 -31.17 71.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.435 ' CD ' ' HB2' ' A' ' 96' ' ' ARG . 45.5 mt-10 -71.39 -41.31 69.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.513 HD21 ' SD ' ' A' ' 95' ' ' MET . 57.9 mt -45.89 165.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.641 ' CE2' HG13 ' A' ' 115' ' ' VAL . 54.0 p90 -98.13 -176.89 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -101.69 132.02 47.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -47.32 -43.92 23.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 105' ' ' ASP . 13.4 t80 -59.98 -62.4 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 104' ' ' PHE . 43.2 m-20 -34.75 -43.04 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.716 HD23 HD13 ' A' ' 82' ' ' ILE . 25.5 tp -70.87 -60.18 2.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 23.1 t80 -48.99 -58.57 4.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -77.56 4.16 11.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 109' ' ' VAL . 13.7 t 41.29 50.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.075 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 110' ' ' ARG . 9.7 mtp-105 -77.5 -60.82 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.44 86.57 2.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -64.52 -40.21 95.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.83 -32.95 2.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -68.1 -37.73 81.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.641 HG13 ' CE2' ' A' ' 101' ' ' PHE . 42.3 t -68.98 -39.41 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 mt -59.39 -49.95 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -52.55 -47.58 66.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 96.8 m -42.78 -41.4 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.8 mt -73.29 -41.29 63.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 65.8 m -49.33 -38.75 29.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 37.7 mtt85 -81.85 -46.61 13.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.6 tp -45.29 -45.12 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.452 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 95.7 p -46.15 -34.65 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -52.28 -41.56 62.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 72.9 p -39.43 148.17 0.29 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -0.51 7.01 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.404 HG21 ' HB2' ' A' ' 58' ' ' ARG . 4.9 mp -94.67 -40.74 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -69.89 -42.32 73.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.41 ' CD2' ' HB3' ' A' ' 135' ' ' PRO . 52.1 mt -70.67 -38.26 73.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.2 -45.1 5.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 38.4 p -61.66 -37.51 84.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.61 26.15 12.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' A' ' 134' ' ' ARG . 56.3 mt -85.17 138.11 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 111.121 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 133' ' ' ILE . 65.5 mtp85 -32.77 96.13 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.25 . . . . 0.0 112.341 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.757 0.232 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.634 ' CD1' HG13 ' A' ' 37' ' ' VAL . 7.5 p-90 -94.17 -29.16 15.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.402 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 17.8 mmtt -57.2 -42.53 81.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -80.31 -37.04 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.1 t -51.98 -48.42 64.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -39.81 -44.99 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -54.28 -63.59 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 16.7 t90 -42.57 -43.71 3.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.884 ' O ' HG22 ' A' ' 23' ' ' VAL . 95.6 mt -59.89 -52.42 65.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.6 mt -56.96 -37.89 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.682 ' HB3' HG23 ' A' ' 133' ' ' ILE . 20.2 m-70 -80.22 -24.54 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 57.4 m -79.69 11.38 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? 56.97 46.85 18.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.884 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.9 m -125.29 -26.96 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.034 HD22 ' CE1' ' A' ' 28' ' ' HIS . 89.0 mt -136.56 148.95 65.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.548 0.69 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.459 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.78 160.76 48.51 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.725 2.283 . . . . 0.0 112.348 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.6 p -70.34 -26.76 63.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -107.8 20.19 19.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 1.034 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.4 t-160 -46.49 170.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 10.8 ptp180 -78.01 -23.52 48.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 m -76.92 -12.9 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -80.74 -23.58 39.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -69.96 139.48 52.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -31.93 62.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.5 t -64.15 -32.11 73.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.824 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 29' ' ' ARG . . . -62.75 159.57 16.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.423 ' HG3' ' C ' ' A' ' 35' ' ' ALA . 58.1 mt-30 -148.61 173.12 13.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.634 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.7 m -36.18 -47.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -50.3 -62.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -40.18 -58.11 1.55 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.718 HD11 ' CD1' ' A' ' 18' ' ' LEU . 56.5 tp -67.82 -20.95 65.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -85.65 -11.53 53.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -87.74 -55.7 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.726 HG23 HD23 ' A' ' 44' ' ' LEU . 5.9 t -47.08 -23.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.726 HD23 HG23 ' A' ' 43' ' ' THR . 10.7 mt -99.52 -32.04 11.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -38.36 -42.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -61.4 -46.91 88.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.8 24.85 11.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.4 t -100.41 -29.86 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.843 0.354 . . . . 0.0 111.094 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' GLN . 38.7 tp -85.08 -54.13 4.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 49' ' ' LEU . 10.5 mt -35.17 -56.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.6 m -50.62 -44.19 57.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.0 mt-30 -53.87 -48.77 69.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.5 tp -40.62 -63.03 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.669 HD12 HD11 ' A' ' 62' ' ' ILE . 36.8 mt -54.09 -39.35 66.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -66.25 -24.89 66.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -79.5 -43.91 22.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.429 ' HB3' HG22 ' A' ' 127' ' ' ILE . 29.3 mt -69.79 -56.09 8.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.5 ' HB2' HG21 ' A' ' 127' ' ' ILE . 8.1 ttt85 -114.07 151.86 31.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.69 145.18 26.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 60.73 34.09 20.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 m -77.58 -45.99 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.669 HD11 HD12 ' A' ' 54' ' ' LEU . 59.6 mt -146.52 130.06 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -77.85 109.55 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.529 HD23 HD11 ' A' ' 67' ' ' ILE . 97.3 mt -49.85 -37.91 32.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 11.2 mptt -62.43 -37.56 86.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -65.17 -27.94 69.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.529 HD11 HD23 ' A' ' 64' ' ' LEU . 22.9 pt -101.24 138.07 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.9 p30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.894 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.793 0.33 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -63.61 -63.57 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.6 mt -54.79 -54.71 38.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 64.4 m -48.43 -55.49 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.3 mt -54.43 -45.68 73.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -57.36 -59.55 4.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.809 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' LYS . 30.0 m-20 -37.15 -59.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.5 mt -45.12 -50.44 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -55.08 -47.68 74.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 39.4 m -50.77 -37.2 40.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.464 ' CD2' ' N ' ' A' ' 86' ' ' LEU . 1.8 t80 -74.81 -60.08 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 85' ' ' PHE . 19.8 mt -42.44 -37.17 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.778 HG22 ' HG3' ' A' ' 91' ' ' GLU . 24.2 m -68.44 -50.85 49.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.087 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.98 -35.12 58.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.0 m -55.24 -14.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 91' ' ' GLU . 0.8 OUTLIER -119.07 -40.7 2.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.778 ' HG3' HG22 ' A' ' 87' ' ' THR . 12.2 mt-10 -72.04 -42.47 66.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 93.7 m -84.75 -48.88 8.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -94.01 -66.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.87 59.25 0.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 25.9 mtp -108.9 163.72 13.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.771 0.32 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.3 mmp_? -58.52 101.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.432 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 12.4 mtmm -44.15 -24.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 94.1 p -65.85 -43.25 89.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -59.4 -30.34 68.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.432 ' CD1' ' HA ' ' A' ' 97' ' ' LYS . 34.1 mt -55.97 166.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.412 ' CE1' HG13 ' A' ' 115' ' ' VAL . 28.1 p90 -103.89 164.02 11.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.456 ' N ' ' OD2' ' A' ' 105' ' ' ASP . 11.6 tt0 -70.35 153.09 43.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.6 -21.33 60.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 21.0 t80 -90.3 -51.25 5.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.456 ' OD2' ' N ' ' A' ' 102' ' ' GLU . 0.6 OUTLIER -38.15 -39.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.453 HD13 HG11 ' A' ' 115' ' ' VAL . 18.0 tp -77.82 -49.38 14.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -53.78 -58.35 7.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -79.25 2.89 19.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.1 t 50.33 35.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -56.44 -67.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -130.53 92.45 3.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 116' ' ' ILE . 13.9 t80 -62.13 -33.41 74.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -47.53 -36.15 11.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -68.1 -35.37 78.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.453 HG11 HD13 ' A' ' 106' ' ' LEU . 11.1 t -72.31 -36.67 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 112' ' ' PHE . 57.6 mt -65.64 -53.59 37.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -45.71 -50.69 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.5 m -44.96 -46.08 10.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.15 -36.72 82.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.9 p -54.07 -40.32 67.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -80.92 -48.95 11.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.539 ' O ' HG23 ' A' ' 125' ' ' THR . 9.7 tp -40.07 -51.34 2.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.586 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 94.5 p -42.7 -41.45 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -45.06 -41.15 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 122' ' ' LEU . 77.6 p -40.08 147.33 0.36 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.545 0.688 . . . . 0.0 111.129 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -0.55 7.02 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.71 2.274 . . . . 0.0 112.346 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.5 HG21 ' HB2' ' A' ' 58' ' ' ARG . 4.7 mp -94.99 -35.75 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -74.2 -44.84 51.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 42.7 mt -69.36 -39.1 78.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.52 -49.23 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.0 p -57.24 -36.67 71.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.74 22.34 21.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.682 HG23 ' HB3' ' A' ' 20' ' ' HIS . 55.7 mt -81.91 143.73 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 135' ' ' PRO . 22.8 mmm180 -41.14 101.75 0.25 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.354 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.778 0.241 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.772 ' CD1' HG13 ' A' ' 37' ' ' VAL . 5.9 p-90 -82.21 -36.61 27.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -52.47 -49.39 64.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -69.68 -43.47 72.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.3 t -47.71 -39.88 18.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -47.8 -46.12 30.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -55.33 -64.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.54 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 36.2 t90 -39.27 -44.03 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.899 ' O ' HG22 ' A' ' 23' ' ' VAL . 27.4 mt -58.38 -48.92 79.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.402 HG21 ' HA ' ' A' ' 26' ' ' THR . 66.7 mt -57.27 -43.82 82.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.571 ' HB3' HG23 ' A' ' 133' ' ' ILE . 22.6 m-70 -71.22 -31.43 67.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.54 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 56.2 m -69.6 -1.84 9.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.1 mmtt 68.9 49.26 0.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.899 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.0 m -127.24 -29.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.844 HD22 ' CE1' ' A' ' 28' ' ' HIS . 82.5 mt -131.31 150.92 77.82 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.475 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.77 147.13 62.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.402 ' HA ' HG21 ' A' ' 19' ' ' ILE . 62.0 p -59.57 -25.58 64.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -110.22 25.45 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.844 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.9 t-160 -52.31 -179.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -84.0 -40.37 18.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.416 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . 16.3 m -55.05 -26.33 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.7 p -68.05 -30.53 69.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -63.26 125.3 23.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -42.7 -35.26 1.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.4 t -60.18 -40.31 89.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.416 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . . . -45.99 157.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.075 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' VAL . 40.2 mt-30 -144.51 163.41 33.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.772 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.4 m -36.14 -47.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.478 ' CE1' HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -51.7 -60.48 3.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -42.28 -58.74 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 18' ' ' LEU . 39.9 tp -64.39 -20.19 65.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -84.48 -20.68 31.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -81.23 -46.29 15.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.434 HG23 ' HG ' ' A' ' 44' ' ' LEU . 5.8 t -54.87 -20.75 9.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' ARG . 15.1 mt -106.4 -32.26 8.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 44' ' ' LEU . 19.1 ttt180 -35.63 -48.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.89 -53.35 53.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.98 20.49 10.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.4 t -95.75 -28.93 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 111.149 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.2 tp -85.45 -54.88 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' LEU . 13.0 mt -34.6 -59.4 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.454 ' HA ' HD12 ' A' ' 62' ' ' ILE . 54.8 m -47.23 -41.88 19.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' LEU . 25.1 mt-30 -57.53 -51.53 69.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' GLN . 46.3 tp -35.66 -57.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.679 HD22 ' CE1' ' A' ' 93' ' ' PHE . 74.9 mt -60.43 -43.33 96.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -60.28 -21.92 62.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -81.26 -41.76 21.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.5 mt -73.29 -54.27 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.58 ' HB2' HG21 ' A' ' 127' ' ' ILE . 10.4 ttt85 -116.67 152.78 33.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.14 148.55 25.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.8 m170 57.43 33.38 23.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.6 m -75.17 -41.81 57.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.6 HD11 HD12 ' A' ' 54' ' ' LEU . 57.0 mt -148.98 133.28 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' GLU . 46.3 t-20 -80.84 101.94 9.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.2 mt -42.42 -34.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -66.82 -38.41 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 63' ' ' ASN . 16.6 mt-10 -66.11 -16.89 64.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.582 ' CG2' HG21 ' A' ' 84' ' ' THR . 28.1 pt -114.63 141.35 31.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.48 ' HG2' HD12 ' A' ' 79' ' ' LEU . 34.0 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.836 0.35 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -69.46 -53.4 19.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.0 -45.29 94.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 41.1 m -60.32 -63.61 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.48 HD12 ' HG2' ' A' ' 75' ' ' GLN . 18.4 mt -43.12 -49.51 6.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -51.19 70.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -45.57 -60.59 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 68.3 mt -42.88 -47.97 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.4 ' HA ' HD12 ' A' ' 86' ' ' LEU . 14.2 mtt-85 -59.36 -43.81 92.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.582 HG21 ' CG2' ' A' ' 67' ' ' ILE . 62.2 m -51.87 -38.08 54.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -71.37 -52.32 19.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 83' ' ' ARG . 25.7 mt -51.24 -30.2 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.543 HG22 ' HG3' ' A' ' 91' ' ' GLU . 30.4 m -67.87 -52.35 37.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.42 -34.02 66.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.9 m -61.56 -13.29 20.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.562 ' SG ' HD11 ' A' ' 100' ' ' LEU . 98.5 m -118.65 -23.82 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.543 ' HG3' HG22 ' A' ' 87' ' ' THR . 5.2 mm-40 -93.69 -55.76 3.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.3 m -66.79 -59.89 3.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.679 ' CE1' HD22 ' A' ' 54' ' ' LEU . 38.1 m-85 -85.2 -62.1 1.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.77 66.48 0.67 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 53.7 mtp -106.88 177.81 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.745 0.307 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -77.89 116.32 18.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -57.72 -31.77 66.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.9 m -66.9 -18.21 65.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -87.72 -37.23 16.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.562 HD11 ' SG ' ' A' ' 90' ' ' CYS . 47.2 mt -51.64 158.79 0.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.447 ' CD2' HG22 ' A' ' 115' ' ' VAL . 34.4 p90 -91.59 159.79 15.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -66.07 -178.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -94.63 -38.73 10.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.642 ' CZ ' ' CG ' ' A' ' 108' ' ' ASP . 8.8 t80 -74.47 -45.55 45.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' PHE . 3.3 p-10 -37.42 -41.55 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.8 tp -83.95 -52.01 6.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -46.64 -58.13 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.642 ' CG ' ' CZ ' ' A' ' 104' ' ' PHE . 1.2 m-20 -85.2 18.12 2.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.478 HG21 ' CE1' ' A' ' 38' ' ' PHE . 3.6 t 35.41 41.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.409 ' NE ' ' HB3' ' A' ' 108' ' ' ASP . 1.3 mmp_? -69.43 -68.7 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -119.21 84.76 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -65.05 -37.32 87.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -47.81 -39.01 16.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -61.67 -35.73 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.447 HG22 ' CD2' ' A' ' 101' ' ' PHE . 38.5 t -72.34 -39.35 63.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 44.8 mt -58.24 -51.21 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.34 -40.82 75.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.0 m -45.79 -37.34 5.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 120' ' ' SER . 40.5 mt -73.99 -47.84 34.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 119' ' ' LEU . 8.6 t -34.87 -46.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.498 ' O ' ' CD ' ' A' ' 124' ' ' ARG . 62.8 mtt-85 -72.69 -59.68 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 2.8 tp -42.04 -25.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 121' ' ' ARG . 3.8 p -79.6 15.55 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.498 ' CD ' ' O ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -110.41 -17.83 13.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.486 HG22 ' HE ' ' A' ' 124' ' ' ARG . 78.0 p -60.35 153.48 58.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 111.152 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.65 3.71 2.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.58 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.4 mp -107.18 -30.65 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.01 -37.08 55.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 132' ' ' GLY . 37.9 mt -78.07 -40.84 37.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -39.11 -38.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.7 p -64.82 -39.38 93.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 96.23 28.52 9.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.446 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.571 HG23 ' HB3' ' A' ' 20' ' ' HIS . 30.2 mt -87.67 139.55 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 133' ' ' ILE . 89.8 mtt180 -34.13 97.11 0.11 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.568 0.699 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 133' ' ' ILE . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.172 0 C-N-CA 122.739 2.293 . . . . 0.0 112.355 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.747 0.228 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.533 ' CD1' HG13 ' A' ' 37' ' ' VAL . 5.6 p-90 -88.87 -37.08 15.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.489 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 3.8 mmmp? -55.54 -47.57 76.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -70.52 -47.81 58.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.1 t -41.31 -42.16 2.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.674 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -45.73 -49.61 14.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -51.93 -61.79 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.534 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 29.2 t90 -46.21 -40.53 11.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.864 ' O ' HG22 ' A' ' 23' ' ' VAL . 20.6 mt -63.03 -49.55 74.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.2 mt -57.45 -38.09 61.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.492 ' HB3' HG23 ' A' ' 133' ' ' ILE . 19.2 m-70 -78.54 -29.57 46.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.534 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 52.4 m -71.49 0.88 7.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm 67.57 48.98 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.864 HG22 ' O ' ' A' ' 18' ' ' LEU . 33.8 m -127.97 -30.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.881 HD22 ' CE1' ' A' ' 28' ' ' HIS . 86.8 mt -129.79 148.03 67.83 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.625 0.726 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 54.1 Cg_endo -69.73 158.29 57.49 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.694 2.262 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.1 p -69.32 -23.5 63.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -111.14 22.04 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.881 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.4 t-80 -48.94 178.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.27 -6.9 43.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.493 HG13 ' ND1' ' A' ' 28' ' ' HIS . 12.2 m -87.15 -12.81 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.4 p -84.58 -21.61 30.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.43 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 16.3 m95 -66.66 130.09 42.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -45.05 -52.25 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 p -47.79 -34.87 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 32' ' ' TRP . . . -46.47 160.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.08 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HG3' ' C ' ' A' ' 35' ' ' ALA . 52.6 mt-30 -147.33 163.1 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.533 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.8 m -37.25 -48.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 12.1 t80 -47.58 -62.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' PHE . 1.4 m-20 -36.04 -58.91 0.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.49 HD11 HD13 ' A' ' 18' ' ' LEU . 62.4 tp -66.52 -29.59 69.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -74.57 -20.65 59.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.091 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.638 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 44.5 mt-30 -78.99 -61.35 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.431 HG23 ' HG ' ' A' ' 44' ' ' LEU . 4.1 t -43.28 -23.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.132 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 49' ' ' LEU . 12.5 mt -105.92 -26.55 11.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 34.8 ttt180 -43.52 -36.53 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -67.81 -55.73 11.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.15 32.88 2.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.482 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.3 t -106.43 -30.63 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 52' ' ' GLN . 17.6 tp -85.52 -54.34 4.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.6 mt -34.36 -58.58 0.47 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.412 ' SG ' HG21 ' A' ' 67' ' ' ILE . 85.4 m -48.87 -41.97 35.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' LEU . 23.4 mt-30 -58.2 -52.18 66.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' GLN . 58.4 tp -34.22 -65.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.7 HD12 HD11 ' A' ' 62' ' ' ILE . 59.8 mt -53.97 -46.83 71.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 73.9 m-20 -55.46 -30.77 61.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -74.83 -43.77 52.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.45 ' HB3' HG22 ' A' ' 127' ' ' ILE . 31.1 mt -67.68 -58.34 4.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.545 ' HB2' HG21 ' A' ' 127' ' ' ILE . 11.4 ttt85 -113.86 157.98 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.8 144.56 25.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 62.26 33.76 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -79.57 -45.19 19.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.7 HD11 HD12 ' A' ' 54' ' ' LEU . 65.9 mt -148.56 128.98 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -82.0 114.61 20.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.495 HD23 HD11 ' A' ' 67' ' ' ILE . 95.9 mt -52.57 -36.49 55.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -63.49 -36.86 85.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.62 -26.51 67.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.495 HD11 HD23 ' A' ' 64' ' ' LEU . 21.3 pt -102.58 138.92 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.539 ' ND2' ' H ' ' A' ' 68' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 27.3 tt0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.817 0.342 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -80.32 -58.75 2.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.3 mt -52.29 -54.42 31.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.6 m -50.7 -66.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.2 mt -49.18 -39.57 29.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -56.9 15.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.457 ' ND2' ' OD1' ' A' ' 68' ' ' ASN . 40.4 m-20 -49.2 -63.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.643 ' CD1' HD23 ' A' ' 106' ' ' LEU . 85.0 mt -36.84 -58.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.181 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -43.68 -48.96 7.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.9 m -46.22 -44.96 16.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.25 -55.74 25.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.96 -28.46 16.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.55 HG22 ' HG3' ' A' ' 91' ' ' GLU . 37.2 m -73.75 -49.17 26.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.18 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.1 -32.88 71.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.78 -22.71 62.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.9 t -110.32 -22.27 11.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.55 ' HG3' HG22 ' A' ' 87' ' ' THR . 30.4 mm-40 -92.13 -54.43 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.1 m -75.05 -46.55 34.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.482 ' CE2' HD11 ' A' ' 122' ' ' LEU . 9.5 m-85 -93.23 -70.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 116.81 53.59 0.33 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.577 ' HE2' HD13 ' A' ' 122' ' ' LEU . 15.3 mtm -100.94 159.21 15.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.327 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -67.71 129.71 40.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.447 ' HD2' HD12 ' A' ' 100' ' ' LEU . 12.2 tptm -63.64 -32.52 74.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.5 m -66.71 -17.45 64.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -87.31 -35.38 18.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.447 HD12 ' HD2' ' A' ' 97' ' ' LYS . 26.7 mt -57.96 176.03 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.716 ' CE2' HG13 ' A' ' 115' ' ' VAL . 38.7 p90 -104.91 169.02 8.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 103' ' ' ALA . 13.1 tp10 -85.62 120.11 26.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 102' ' ' GLU . . . -34.5 -47.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.078 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 105' ' ' ASP . 13.2 t80 -59.34 -56.73 18.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 104' ' ' PHE . 55.7 m-20 -34.79 -38.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.643 HD23 ' CD1' ' A' ' 82' ' ' ILE . 16.5 tp -79.99 -56.46 4.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 9.9 t80 -48.18 -67.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -69.59 -10.62 58.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 109' ' ' VAL . 40.0 t 62.0 48.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -71.7 -63.78 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -130.41 100.02 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.632 ' CD2' HD11 ' A' ' 116' ' ' ILE . 29.5 t80 -68.83 -43.15 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.34 -33.02 1.93 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -66.73 -37.52 84.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.716 HG13 ' CE2' ' A' ' 101' ' ' PHE . 41.2 t -73.47 -37.9 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.632 HD11 ' CD2' ' A' ' 112' ' ' PHE . 56.4 mt -62.36 -46.09 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 118' ' ' THR . 8.9 tp10 -51.73 -56.99 10.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 117' ' ' GLU . 59.8 m -36.19 -47.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.462 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 14.1 mt -67.82 -48.94 64.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 62.4 m -43.15 -42.9 4.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 4.1 ptp180 -83.37 -45.8 13.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.668 ' O ' HG23 ' A' ' 125' ' ' THR . 16.3 tp -40.08 -45.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.476 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 84.1 p -44.63 -43.31 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 125' ' ' THR . 0.4 OUTLIER -42.01 -38.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 122' ' ' LEU . 60.3 p -44.82 148.94 0.87 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 111.148 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.451 ' O ' ' HB2' ' A' ' 130' ' ' ALA . 53.5 Cg_endo -69.83 1.56 4.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.313 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.545 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.4 mp -95.33 -48.54 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -61.29 -47.36 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 29.7 mt -68.29 -36.26 79.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 126' ' ' PRO . . . -45.76 -49.24 15.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.7 p -56.79 -36.59 70.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 97.86 22.57 15.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.492 HG23 ' HB3' ' A' ' 20' ' ' HIS . 63.4 mt -81.57 145.51 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 111.138 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 44.3 mmt-85 -47.87 107.55 0.76 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.563 0.697 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.358 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.181 0 CA-C-O 120.736 0.223 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.658 ' CD1' HG13 ' A' ' 37' ' ' VAL . 48.1 p-90 -72.09 -42.55 66.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.593 ' HE2' ' CH2' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -34.21 -56.3 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -68.48 -42.47 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.0 t -45.23 -50.62 11.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -38.46 -51.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -47.67 -63.66 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.545 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 20.6 t90 -44.75 -47.95 10.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.931 ' O ' HG22 ' A' ' 23' ' ' VAL . 27.3 mt -55.95 -51.7 66.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.6 mt -55.21 -42.64 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.437 ' HB3' HG23 ' A' ' 133' ' ' ILE . 14.7 m-70 -74.84 -27.95 60.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 61.9 m -73.65 3.31 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp 65.7 45.06 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.931 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.8 m -123.25 -28.27 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.09 HD22 ' CE1' ' A' ' 28' ' ' HIS . 85.3 mt -134.48 151.49 76.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.507 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.73 168.55 21.2 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.405 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.5 p -76.24 -30.33 57.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -106.23 23.37 14.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 1.09 ' CE1' HD22 ' A' ' 24' ' ' LEU . 1.9 t-160 -48.55 169.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . 4.8 ptp180 -74.91 -45.97 39.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 26.7 m -48.61 -37.0 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.3 p -53.62 -47.44 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -53.35 126.04 19.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.12 -52.24 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.3 m -38.87 -40.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.409 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -53.58 161.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.095 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' VAL . 63.6 mt-30 -149.15 164.2 35.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.658 HG13 ' CD1' ' A' ' 11' ' ' TRP . 1.8 m -33.79 -48.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.98 -61.33 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -42.75 -60.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.435 ' O ' HG22 ' A' ' 43' ' ' THR . 46.8 tp -59.62 -29.73 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.91 -26.85 60.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' LEU . 26.5 mt-30 -74.3 -59.42 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.71 HG23 ' HG ' ' A' ' 44' ' ' LEU . 14.6 t -42.62 -24.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.71 ' HG ' HG23 ' A' ' 43' ' ' THR . 6.4 mt -104.81 -31.76 9.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 44' ' ' LEU . 12.8 ttt180 -36.46 -43.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -58.0 -50.44 73.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.15 26.35 7.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.465 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.1 t -101.72 -33.61 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.425 ' HB3' HD23 ' A' ' 44' ' ' LEU . 22.8 tp -81.85 -45.36 15.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -40.89 -57.99 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.628 ' SG ' HG21 ' A' ' 67' ' ' ILE . 68.9 m -50.22 -43.09 52.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -56.02 -46.36 78.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.0 tp -41.18 -64.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.561 HD12 HD11 ' A' ' 62' ' ' ILE . 46.7 mt -55.6 -45.85 77.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -56.79 -29.31 62.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -75.95 -44.82 38.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.573 ' HB3' HG22 ' A' ' 127' ' ' ILE . 22.9 mt -67.74 -56.41 9.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.732 ' HB2' HG21 ' A' ' 127' ' ' ILE . 12.6 ttt-85 -114.24 158.99 20.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.08 143.91 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 62.24 34.87 15.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.9 m -78.82 -42.4 27.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.561 HD11 HD12 ' A' ' 54' ' ' LEU . 58.8 mt -151.73 128.1 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -78.06 108.22 11.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.416 HD23 HD11 ' A' ' 67' ' ' ILE . 49.9 mt -45.34 -37.81 5.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -61.49 -38.18 86.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -64.52 -26.89 68.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.628 HG21 ' SG ' ' A' ' 51' ' ' CYS . 22.8 pt -100.65 137.69 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 11.3 tt0 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -65.06 -44.3 89.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.2 mt -67.18 -57.84 5.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.9 m -49.42 -59.72 3.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.4 mt -46.71 -47.37 20.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -60.16 4.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -38.48 -61.61 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 71.2 mt -41.05 -53.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.115 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -51.86 -51.59 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.8 m -42.5 -45.07 4.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 86' ' ' LEU . 2.4 t80 -64.22 -57.34 9.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.427 HD21 ' CE1' ' A' ' 101' ' ' PHE . 18.2 mt -50.3 -29.93 10.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.57 HG22 ' HG3' ' A' ' 91' ' ' GLU . 24.7 m -70.14 -48.27 58.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.09 -36.35 74.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.66 -16.6 27.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.3 t -113.84 -27.81 7.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.57 ' HG3' HG22 ' A' ' 87' ' ' THR . 20.0 mm-40 -90.71 -52.87 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.5 m -72.08 -50.52 27.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.459 ' CE2' HD11 ' A' ' 122' ' ' LEU . 15.8 m-85 -85.94 -65.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 119.61 37.39 0.78 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 14.4 mtm -95.01 159.14 15.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -69.46 -178.26 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.691 ' HD2' HD12 ' A' ' 100' ' ' LEU . 17.3 tptm -110.19 -27.39 9.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.0 t -58.77 -23.81 60.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -92.19 -27.43 17.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.691 HD12 ' HD2' ' A' ' 97' ' ' LYS . 97.2 mt -63.65 169.67 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.54 ' CD2' HG22 ' A' ' 115' ' ' VAL . 39.4 p90 -111.05 154.5 24.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -61.58 175.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.27 -33.71 14.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.433 ' O ' ' C ' ' A' ' 105' ' ' ASP . 27.7 t80 -75.71 -54.16 7.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 104' ' ' PHE . 30.1 p-10 -34.37 -41.64 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.482 HD13 HG21 ' A' ' 115' ' ' VAL . 11.2 tp -79.1 -44.55 21.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 29.1 t80 -55.02 -52.78 62.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.88 16.78 8.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 109' ' ' VAL . 43.6 t 41.87 36.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -59.18 -54.56 45.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -143.21 114.48 7.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.498 ' CD2' HD11 ' A' ' 116' ' ' ILE . 24.5 t80 -84.41 -40.39 17.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.88 -34.06 2.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.458 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -69.09 -38.6 79.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.54 HG22 ' CD2' ' A' ' 101' ' ' PHE . 40.3 t -69.75 -40.44 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.498 HD11 ' CD2' ' A' ' 112' ' ' PHE . 57.6 mt -58.11 -52.57 56.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -47.36 -45.4 24.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.4 m -48.08 -48.3 33.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.28 -43.62 92.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.4 t -51.35 -42.59 61.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -75.27 -30.16 60.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.501 ' O ' HG23 ' A' ' 125' ' ' THR . 24.8 tp -69.14 -54.12 16.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.619 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 28.9 p -43.06 -44.75 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -46.34 -41.3 13.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 122' ' ' LEU . 62.4 p -40.54 150.63 0.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.583 0.706 . . . . 0.0 111.173 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.96 22.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.732 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -86.3 -40.05 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -69.45 -43.94 72.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 43.7 mt -70.34 -36.43 74.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.48 -47.98 5.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.3 p -56.47 -36.17 68.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 98.96 23.3 11.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.437 HG23 ' HB3' ' A' ' 20' ' ' HIS . 56.0 mt -84.45 137.69 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 111.156 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -47.91 115.84 4.24 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.623 0.725 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.347 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.769 0.237 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.679 ' CD1' HG13 ' A' ' 37' ' ' VAL . 37.7 p-90 -63.16 -37.58 87.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.597 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 4.8 mmpt? -34.76 -68.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -55.79 -45.55 78.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.3 t -45.74 -49.05 15.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -41.3 -50.47 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -52.04 -62.22 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.531 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 30.7 t90 -45.06 -44.67 10.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.847 ' O ' HG22 ' A' ' 23' ' ' VAL . 64.6 mt -56.59 -54.35 46.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.3 mt -52.91 -44.76 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -69.57 -33.12 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.531 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 74.7 m -68.9 -3.46 12.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt 70.69 48.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.847 HG22 ' O ' ' A' ' 18' ' ' LEU . 30.6 m -124.46 -29.51 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.847 HD22 ' CE1' ' A' ' 28' ' ' HIS . 51.2 mt -133.32 151.66 77.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.494 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.4 Cg_endo -69.75 171.45 14.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.691 2.26 . . . . 0.0 112.322 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.9 p -79.91 -24.04 41.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -110.29 23.35 14.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.847 ' CE1' HD22 ' A' ' 24' ' ' LEU . 1.9 t-80 -52.61 173.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -80.53 -41.58 23.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.4 m -50.87 -38.2 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.4 p -56.95 -43.88 82.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -50.93 134.13 26.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -53.63 -45.81 70.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.0 p -50.31 -24.82 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.52 157.35 36.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' VAL . 33.2 mt-30 -141.46 165.4 27.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.679 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.2 m -34.9 -45.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.686 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 11.4 t80 -48.39 -62.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -39.69 -55.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' A' ' 18' ' ' LEU . 64.3 tp -66.34 -23.85 66.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -81.9 -23.55 36.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.686 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 49.2 mt-30 -75.97 -49.67 17.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.403 HG23 ' HG ' ' A' ' 44' ' ' LEU . 5.3 t -54.83 -25.15 26.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' ARG . 14.4 mt -103.64 -28.41 11.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' LEU . 30.2 ttt180 -37.68 -41.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -63.96 -54.93 26.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.93 25.72 5.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.6 t -99.7 -37.49 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.119 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.9 tp -78.62 -46.38 19.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.8 mt -41.76 -46.72 3.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.413 ' HA ' HD12 ' A' ' 62' ' ' ILE . 52.7 m -61.79 -41.06 97.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 53' ' ' LEU . 25.1 mt-30 -56.68 -49.29 75.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' GLN . 35.7 tp -37.43 -61.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.601 HD12 HD11 ' A' ' 62' ' ' ILE . 78.7 mt -56.3 -40.27 74.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.07 -24.19 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -79.26 -44.78 21.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.449 ' HB3' HG22 ' A' ' 127' ' ' ILE . 21.4 mt -72.56 -54.51 8.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.786 ' HB2' HG21 ' A' ' 127' ' ' ILE . 1.7 ttp180 -111.47 162.48 15.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.65 143.6 29.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 63.56 25.53 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -70.1 -40.92 74.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.601 HD11 HD12 ' A' ' 54' ' ' LEU . 52.7 mt -152.42 127.43 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 66' ' ' GLU . 52.0 t-20 -80.46 109.94 15.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.0 mt -44.17 -33.51 1.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -66.23 -37.04 84.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' ASN . 8.3 mt-10 -66.15 -17.13 64.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.48 ' CG2' HG21 ' A' ' 84' ' ' THR . 24.2 pt -113.35 128.75 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.944 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.585 ' O ' HD12 ' A' ' 79' ' ' LEU . 55.7 tt0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.856 0.36 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -77.98 -41.61 35.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.18 -64.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 68.9 m -43.65 -61.03 1.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' ' 75' ' ' GLN . 16.5 mt -43.3 -61.76 1.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -48.79 -58.4 4.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -38.51 -62.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.564 HG21 ' HA ' ' A' ' 103' ' ' ALA . 55.9 mt -39.81 -62.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.464 ' HA ' HD12 ' A' ' 86' ' ' LEU . 44.1 mtt180 -37.75 -49.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.48 HG21 ' CG2' ' A' ' 67' ' ' ILE . 51.8 m -45.9 -61.74 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -49.11 -50.68 36.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 83' ' ' ARG . 19.5 mt -56.8 -34.42 67.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.1 m -69.4 -46.96 65.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.48 -35.85 74.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.9 m -60.75 -14.72 23.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 45.3 t -113.44 -22.17 10.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -94.85 -55.07 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.468 ' CG2' ' HD3' ' A' ' 58' ' ' ARG . 87.8 m -70.8 -50.94 30.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.514 ' CE2' HD11 ' A' ' 122' ' ' LEU . 6.2 m-85 -92.27 -68.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.93 61.47 0.43 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 59.3 mtp -102.71 166.74 10.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -73.87 119.11 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -48.06 -35.22 10.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.6 t -64.19 -31.5 72.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -69.68 -38.16 76.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.43 177.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.534 ' CE2' HG13 ' A' ' 115' ' ' VAL . 51.6 p90 -112.32 166.93 10.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -80.73 132.59 35.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.564 ' HA ' HG21 ' A' ' 82' ' ' ILE . . . -46.58 -38.16 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' ASP . 17.8 t80 -68.01 -60.79 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 104' ' ' PHE . 7.5 m-20 -34.47 -42.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.514 HD23 HG12 ' A' ' 82' ' ' ILE . 13.4 tp -74.33 -47.36 34.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' PHE . 9.0 t80 -59.18 -58.5 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -78.28 7.55 6.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 109' ' ' VAL . 20.2 t 40.81 47.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.449 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 12.4 mtp-105 -73.03 -58.88 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -131.21 95.24 3.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -68.14 -41.15 82.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.62 -36.1 1.55 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -64.87 -38.66 91.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.534 HG13 ' CE2' ' A' ' 101' ' ' PHE . 44.2 t -71.17 -36.33 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 50.8 mt -62.49 -53.44 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -51.23 -51.69 51.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 55.9 m -38.09 -48.52 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.5 mt -63.87 -47.44 80.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.0 t -45.37 -38.79 6.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 122' ' ' LEU . 89.1 mtt180 -79.77 -57.33 3.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.573 ' O ' HG23 ' A' ' 125' ' ' THR . 14.4 tp -36.02 -45.08 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 78.7 p -44.48 -47.29 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -42.23 -36.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 122' ' ' LEU . 70.1 p -47.28 146.69 3.03 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.616 0.722 . . . . 0.0 111.147 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 0.66 5.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.786 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.2 mp -95.48 -38.89 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -72.04 -48.21 46.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.3 mt -65.54 -35.62 81.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.3 -51.77 6.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 29.5 p -53.87 -37.67 63.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 101.66 19.31 15.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 71.3 mt -76.67 135.74 26.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 0.0 111.15 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -44.06 121.73 3.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.737 0.224 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.579 ' CZ2' ' HE3' ' A' ' 12' ' ' LYS . 12.5 p-90 -76.87 -48.78 17.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.579 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 2.4 mmpt? -39.01 -58.07 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.495 ' OE1' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -65.72 -34.44 78.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.495 ' N ' ' OE1' ' A' ' 13' ' ' GLN . 36.6 t -53.64 -44.25 69.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.79 -48.18 10.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -49.21 -58.26 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.505 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 22.0 t90 -48.83 -46.33 41.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.763 ' O ' HG22 ' A' ' 23' ' ' VAL . 85.7 mt -55.57 -52.86 62.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.1 mt -52.73 -42.97 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.08 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.536 ' HB3' HG23 ' A' ' 133' ' ' ILE . 10.5 m-70 -71.24 -36.81 71.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.505 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 88.9 m -66.75 -4.35 8.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt 70.38 49.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 18' ' ' LEU . 21.6 m -125.47 -27.35 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.089 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.994 HD22 ' CE1' ' A' ' 28' ' ' HIS . 92.0 mt -132.28 147.74 66.92 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 0.0 110.942 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.48 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.9 Cg_endo -69.75 161.89 44.19 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.741 2.294 . . . . 0.0 112.35 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.8 p -70.06 -31.23 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -105.23 24.96 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.994 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.0 t-160 -51.58 173.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -83.08 -39.5 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.47 -33.08 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.8 p -59.47 -46.43 88.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -52.37 134.17 34.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.86 -50.33 26.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 m -40.34 -35.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.89 166.01 2.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 37' ' ' VAL . 81.3 mt-30 -152.09 165.26 35.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 36' ' ' GLN . 1.9 m -33.87 -44.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.682 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 11.6 t80 -52.35 -62.29 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 38' ' ' PHE . 3.7 t0 -36.77 -59.15 0.7 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.59 HD11 ' CD1' ' A' ' 18' ' ' LEU . 43.3 tp -61.76 -32.42 72.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.603 ' HB1' HG13 ' A' ' 109' ' ' VAL . . . -74.33 -22.85 59.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.052 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.682 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 41.5 mt-30 -78.25 -57.25 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.2 t -47.14 -23.02 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.51 ' CD2' HD23 ' A' ' 49' ' ' LEU . 8.5 mt -103.89 -30.66 10.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' LEU . 29.3 ttt180 -37.45 -37.42 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.52 -47.79 80.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 98.85 23.05 12.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.8 t -101.63 -32.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 111.095 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 44' ' ' LEU . 61.2 tp -81.27 -54.03 5.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.8 mt -35.22 -52.93 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.414 ' HA ' HD12 ' A' ' 62' ' ' ILE . 57.0 m -55.08 -42.62 73.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 49' ' ' LEU . 31.0 mt-30 -53.7 -45.54 70.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.4 tp -43.26 -61.84 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.838 HD12 HD11 ' A' ' 62' ' ' ILE . 72.4 mt -54.44 -40.79 68.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 71.1 m-20 -63.97 -25.57 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -77.55 -47.99 18.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.24 -55.08 24.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.61 ' HB2' HG21 ' A' ' 127' ' ' ILE . 8.9 ttt85 -116.92 157.43 25.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.26 143.91 26.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 61.52 35.84 17.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.7 m -79.96 -44.2 20.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.838 HD11 HD12 ' A' ' 54' ' ' LEU . 52.9 mt -146.32 120.94 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -71.5 108.68 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.1 mt -47.68 -35.81 10.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -63.52 -34.16 77.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -68.15 -23.19 64.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.406 HG21 ' SG ' ' A' ' 51' ' ' CYS . 29.5 pt -105.47 134.15 47.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.809 0.337 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -51.58 -50.27 60.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.39 -56.28 6.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.2 m -44.51 -56.98 3.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.5 mt -52.62 -48.06 66.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -55.63 -56.33 21.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -42.93 -59.29 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.444 HG12 HD23 ' A' ' 106' ' ' LEU . 69.7 mt -41.83 -61.02 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -40.31 -54.63 2.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.4 m -39.08 -57.51 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.148 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -53.89 -58.69 6.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.645 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 16.7 mt -51.17 -31.38 19.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.3 m -70.31 -57.8 4.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -48.09 -46.34 33.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 3.5 m -43.6 -23.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 88' ' ' ALA . 42.5 t -105.98 -25.06 12.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 88' ' ' ALA . 4.7 mt-10 -89.69 -57.33 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.7 m -68.4 -49.1 62.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.582 ' CE1' HD22 ' A' ' 54' ' ' LEU . 28.0 m-85 -95.01 -67.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.77 57.55 0.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 74.2 mtp -98.63 -177.99 3.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.761 0.315 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -89.0 114.83 26.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -49.29 -38.58 27.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.2 t -54.62 -33.95 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -72.54 -37.6 68.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.8 mt -53.55 163.6 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.645 ' CZ ' HD21 ' A' ' 86' ' ' LEU . 43.1 p90 -93.83 165.38 12.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.08 141.91 43.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.89 -30.88 62.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 105' ' ' ASP . 9.4 t80 -79.75 -55.51 4.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 104' ' ' PHE . 0.9 OUTLIER -34.66 -43.66 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.444 HD23 HG12 ' A' ' 82' ' ' ILE . 16.3 tp -75.08 -45.82 38.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 104' ' ' PHE . 9.7 t80 -58.92 -57.77 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' VAL . 1.1 m-20 -87.72 15.1 7.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.603 HG13 ' HB1' ' A' ' 41' ' ' ALA . 5.6 t 35.32 50.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -78.33 -62.5 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 105' ' ' ASP . 1.1 m-20 -120.32 69.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.467 ' CD2' HD11 ' A' ' 116' ' ' ILE . 25.8 t80 -47.74 -33.82 7.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.69 -51.68 5.64 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -48.96 -34.52 13.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.532 HG22 ' CG ' ' A' ' 101' ' ' PHE . 17.0 t -75.15 -39.09 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 112' ' ' PHE . 55.1 mt -67.08 -49.57 72.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -57.36 -51.69 68.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 55.3 m -39.44 -51.73 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.493 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 31.5 mt -57.02 -45.37 83.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.2 t -45.08 -45.13 10.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 32.1 mtt-85 -72.82 -53.41 11.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.434 ' O ' HG23 ' A' ' 125' ' ' THR . 10.5 tp -38.75 -52.26 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.586 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 60.5 p -37.55 -42.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 125' ' ' THR . 12.7 mmm180 -46.99 -46.3 21.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 122' ' ' LEU . 80.3 p -35.68 147.28 0.17 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 111.155 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -1.22 8.09 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.61 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -97.08 -36.9 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -71.22 -40.78 70.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 132' ' ' GLY . 52.7 mt -73.87 -38.65 64.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.71 -46.88 3.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.2 p -60.63 -33.87 73.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 90.28 26.62 23.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.536 HG23 ' HB3' ' A' ' 20' ' ' HIS . 41.2 mt -83.43 142.98 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 133' ' ' ILE . 36.1 mtp85 -33.78 96.92 0.11 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.773 0.239 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.739 ' CD1' HG13 ' A' ' 37' ' ' VAL . 6.4 p-90 -88.59 -31.0 18.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -55.84 -47.32 77.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -73.83 -41.64 62.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.1 t -50.75 -39.88 53.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.432 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -48.05 -47.09 33.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -53.0 -62.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.536 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 24.2 t90 -38.84 -46.83 1.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.878 ' O ' HG22 ' A' ' 23' ' ' VAL . 22.8 mt -57.27 -52.02 67.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.58 HD11 HG22 ' A' ' 31' ' ' THR . 61.3 mt -54.6 -43.85 66.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -73.92 -28.09 61.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.536 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 50.5 m -73.19 2.37 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 66.02 45.87 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.878 HG22 ' O ' ' A' ' 18' ' ' LEU . 27.7 m -123.4 -28.27 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.01 HD22 ' CE1' ' A' ' 28' ' ' HIS . 88.0 mt -133.69 151.5 77.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.704 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.462 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.6 Cg_endo -69.7 157.25 61.15 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.367 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -66.52 -29.9 70.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -105.75 24.96 11.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 1.01 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.3 t-160 -52.67 -179.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -86.4 -33.64 20.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 m -64.08 -16.58 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.58 HG22 HD11 ' A' ' 19' ' ' ILE . 74.1 p -79.14 -26.79 42.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -66.6 138.27 57.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -56.76 -29.39 62.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.3 m -66.57 -30.38 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.44 159.52 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.476 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . 72.8 mt-30 -148.56 166.73 27.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.739 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.3 m -33.96 -48.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.54 -59.42 4.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.2 -58.28 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.617 HD11 ' CD1' ' A' ' 18' ' ' LEU . 35.8 tp -67.57 -18.17 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.15 -27.58 28.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -75.12 -52.81 10.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.46 HG23 ' HG ' ' A' ' 44' ' ' LEU . 5.9 t -47.97 -25.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' HG ' HG23 ' A' ' 43' ' ' THR . 24.4 mt -102.53 -29.31 11.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -41.31 -36.53 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -62.56 -53.51 53.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.78 24.24 7.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -102.47 -35.76 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 111.142 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.8 tp -78.0 -55.64 5.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.6 mt -35.28 -58.74 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.3 m -47.85 -42.23 25.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' LEU . 25.9 mt-30 -57.14 -51.88 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' GLN . 47.7 tp -34.54 -61.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.428 HD12 HD11 ' A' ' 62' ' ' ILE . 33.2 mt -57.91 -40.64 80.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' GLN . 71.0 m-20 -62.88 -23.74 67.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -80.83 -49.03 11.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.642 ' HB3' HG22 ' A' ' 127' ' ' ILE . 20.7 mt -64.37 -52.66 57.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.44 ' HB2' HG21 ' A' ' 127' ' ' ILE . 19.6 ttt-85 -117.13 159.45 22.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.429 ' O ' ' NH1' ' A' ' 58' ' ' ARG . . . -93.79 147.09 23.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 61.74 26.01 15.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -69.84 -41.55 74.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.428 HD11 HD12 ' A' ' 54' ' ' LEU . 32.9 mt -152.34 138.48 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.401 ' C ' ' OD1' ' A' ' 63' ' ' ASN . 39.3 t-20 -90.65 108.06 19.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.592 HD23 HD11 ' A' ' 67' ' ' ILE . 84.5 mt -45.51 -42.88 11.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.475 ' HE2' ' N ' ' A' ' 65' ' ' LYS . 10.2 mmpt? -58.96 -33.16 70.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.65 -24.82 60.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 1.001 ' CG2' HG21 ' A' ' 84' ' ' THR . 15.2 pt -104.26 132.54 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.466 ' HG2' HD12 ' A' ' 79' ' ' LEU . 32.1 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.795 0.331 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -46.15 -43.28 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.2 mt -73.02 -47.66 43.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 85.1 m -56.95 -64.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.466 HD12 ' HG2' ' A' ' 75' ' ' GLN . 18.1 mt -45.46 -59.8 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -49.1 -57.83 5.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -39.62 -57.75 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.447 HG21 ' HA ' ' A' ' 103' ' ' ALA . 71.9 mt -46.28 -58.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -45.92 -50.92 14.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 1.001 HG21 ' CG2' ' A' ' 67' ' ' ILE . 28.9 m -41.33 -44.35 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -65.12 -63.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.5 mt -45.56 -27.1 0.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.8 m -71.69 -52.79 16.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.67 -25.88 65.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 70.8 m -60.81 -27.79 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 13.7 t -105.82 -25.29 12.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -88.0 -61.86 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.8 m -64.1 -53.68 45.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -89.73 -66.99 0.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.97 72.89 0.91 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.4 ptp -120.6 171.07 8.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.764 0.316 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.8 mtt-85 -56.14 99.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -49.9 -37.68 32.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.9 t -57.31 -39.33 75.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 121' ' ' ARG . 72.8 mm-40 -62.28 -41.91 98.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.1 mt -43.25 162.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.457 ' CZ ' HG13 ' A' ' 115' ' ' VAL . 23.4 p90 -106.43 168.9 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.506 ' CD ' ' CG ' ' A' ' 105' ' ' ASP . 1.1 pm0 -78.86 -175.52 4.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.447 ' HA ' HG21 ' A' ' 82' ' ' ILE . . . -96.16 -38.58 10.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 105' ' ' ASP . 4.6 t80 -59.65 -59.89 4.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.506 ' CG ' ' CD ' ' A' ' 102' ' ' GLU . 6.5 m-20 -36.81 -38.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.742 HD13 HG21 ' A' ' 115' ' ' VAL . 29.1 tp -83.98 -47.68 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -54.88 -56.3 21.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -85.75 18.18 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 109' ' ' VAL . 4.5 t 38.3 31.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -59.56 -62.71 1.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -127.6 92.41 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -72.43 -39.2 68.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -44.09 -34.45 3.16 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.456 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -64.5 -37.33 87.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.742 HG21 HD13 ' A' ' 106' ' ' LEU . 23.8 t -70.37 -39.16 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 45.1 mt -61.97 -44.04 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -57.69 -54.81 42.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 121' ' ' ARG . 22.0 m -40.49 -51.17 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.5 mt -62.09 -38.04 87.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 t -50.28 -45.29 54.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.497 ' O ' ' CG ' ' A' ' 124' ' ' ARG . 9.9 ptt-85 -80.58 -36.74 32.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 125' ' ' THR . 42.7 tp -48.98 -46.5 43.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.438 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 15.5 p -52.61 -23.96 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 121' ' ' ARG . 1.0 OUTLIER -60.12 -28.01 67.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 122' ' ' LEU . 46.4 p -57.57 150.97 42.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.562 0.696 . . . . 0.0 111.156 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 130' ' ' ALA . 53.8 Cg_endo -69.72 1.06 4.75 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.642 HG22 ' HB3' ' A' ' 57' ' ' LEU . 5.2 mp -93.33 -42.04 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.438 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -70.19 -54.89 10.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 28.8 mt -57.68 -38.99 76.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 126' ' ' PRO . . . -45.16 -49.33 12.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.1 p -54.89 -36.11 64.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 97.5 21.06 20.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 54.3 mt -80.5 140.17 17.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 134' ' ' ARG . 4.5 ptp180 -44.19 103.55 0.33 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.147 0 C-N-CA 122.68 2.253 . . . . 0.0 112.283 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.776 0.24 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.536 ' CE2' ' HD2' ' A' ' 12' ' ' LYS . 13.8 p-90 -75.29 -41.53 56.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.536 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -33.39 -57.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -70.04 -44.03 70.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 15' ' ' ALA . 12.9 t -44.87 -52.38 8.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.608 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -34.84 -46.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.068 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' TRP . 14.7 mm-40 -56.55 -68.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.537 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 25.7 t90 -35.8 -49.51 0.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.74 ' O ' HG22 ' A' ' 23' ' ' VAL . 19.0 mt -53.27 -55.98 20.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.2 mt -50.43 -43.25 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -71.82 -34.29 69.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.537 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 88.1 m -66.84 -4.37 9.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp 71.74 46.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 18' ' ' LEU . 26.8 m -123.31 -29.52 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.854 HD22 ' CE1' ' A' ' 28' ' ' HIS . 46.8 mt -132.72 147.82 67.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.556 0.693 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.453 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.74 165.1 32.1 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -74.72 -25.6 59.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -109.55 27.0 9.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.854 ' CE1' HD22 ' A' ' 24' ' ' LEU . 1.8 t-80 -56.88 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.581 ' HD3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -90.66 -33.74 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 m -64.96 -19.31 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.4 p -71.35 -36.95 71.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.177 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -58.67 130.8 48.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -49.43 -44.06 45.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.1 m -50.17 -42.83 51.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.423 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -46.79 167.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 37' ' ' VAL . 80.0 mt-30 -150.03 164.47 35.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.454 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.0 m -34.78 -44.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.409 ' CD1' ' CG ' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -50.49 -58.22 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -41.54 -61.07 1.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.564 HD11 HD13 ' A' ' 18' ' ' LEU . 59.3 tp -63.4 -23.38 67.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.76 -25.72 37.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.409 ' CG ' ' CD1' ' A' ' 38' ' ' PHE . 29.1 mt-30 -77.38 -53.8 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.429 HG23 ' HG ' ' A' ' 44' ' ' LEU . 5.6 t -50.29 -23.16 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.429 ' HG ' HG23 ' A' ' 43' ' ' THR . 18.9 mt -102.83 -28.87 11.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -41.18 -34.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.74 -47.59 80.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.74 24.38 12.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.519 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.4 t -103.01 -36.13 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 111.14 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' HD23 ' A' ' 44' ' ' LEU . 33.4 tp -78.49 -49.5 13.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.9 mt -39.25 -58.02 1.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.633 ' SG ' HG21 ' A' ' 67' ' ' ILE . 88.2 m -49.01 -43.12 40.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' LEU . 19.8 mt-30 -56.52 -50.16 72.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' GLN . 61.2 tp -35.3 -63.09 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.704 HD12 HD11 ' A' ' 62' ' ' ILE . 61.6 mt -57.01 -44.91 83.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 81.4 m-20 -56.88 -27.79 61.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -76.37 -42.36 44.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.443 ' HB3' HG22 ' A' ' 127' ' ' ILE . 20.4 mt -68.89 -54.77 13.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -118.3 157.68 26.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.92 146.02 24.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.071 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.3 m170 62.49 25.9 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.411 ' HB3' HG21 ' A' ' 92' ' ' THR . 4.9 m -70.66 -43.9 68.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.704 HD11 HD12 ' A' ' 54' ' ' LEU . 51.2 mt -149.0 126.37 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -78.42 107.92 11.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.6 mt -44.27 -32.36 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -67.19 -38.43 85.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -61.99 -25.03 67.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.633 HG21 ' SG ' ' A' ' 51' ' ' CYS . 25.1 pt -105.19 141.07 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.908 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -74.22 -56.38 4.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.3 mt -54.66 -57.42 11.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.0 t -48.38 -59.73 3.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 75.0 mt -51.42 -54.77 23.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.12 -52.54 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -47.98 -57.73 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.5 mt -46.71 -58.28 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.2 mtp85 -42.45 -55.02 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.427 HG21 HG23 ' A' ' 67' ' ' ILE . 67.2 m -40.24 -48.87 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -58.61 -58.58 7.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 100' ' ' LEU . 14.8 mt -50.44 -28.85 8.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.676 HG22 ' HG3' ' A' ' 91' ' ' GLU . 18.6 m -70.85 -46.61 62.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.4 -32.69 70.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 98.6 m -52.23 -25.25 8.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 48.8 t -110.9 -31.36 7.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.676 ' HG3' HG22 ' A' ' 87' ' ' THR . 4.7 mm-40 -78.93 -53.22 7.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.411 HG21 ' HB3' ' A' ' 61' ' ' SER . 98.1 m -74.91 -53.39 9.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.749 ' CE2' HD11 ' A' ' 122' ' ' LEU . 6.9 m-85 -88.18 -70.74 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.47 44.29 0.72 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 20.4 ptm -96.6 174.47 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.316 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.468 ' CB ' ' OE2' ' A' ' 99' ' ' GLU . 56.5 mtm-85 -61.49 172.93 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -103.09 -34.64 8.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.1 m -59.07 -30.25 67.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.511 ' N ' ' CD ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -65.89 -46.17 79.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.561 ' HB3' HD22 ' A' ' 86' ' ' LEU . 20.6 mt -45.76 157.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.575 ' CE2' HG13 ' A' ' 115' ' ' VAL . 43.1 p90 -102.94 151.47 22.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.95 125.92 26.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.85 -48.19 51.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -56.05 -53.65 54.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.24 -32.74 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.66 HD13 HG21 ' A' ' 115' ' ' VAL . 14.6 tp -84.36 -49.33 8.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -50.87 -59.39 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -81.67 -6.29 58.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.401 ' O ' HG12 ' A' ' 109' ' ' VAL . 6.5 t 61.58 46.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -70.37 -64.43 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.3 97.6 4.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -69.48 -38.33 77.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.19 -36.29 2.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -64.58 -38.5 91.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.66 HG21 HD13 ' A' ' 106' ' ' LEU . 59.8 t -69.23 -37.22 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.0 mt -63.43 -49.97 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -50.99 -52.66 40.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 87.6 m -38.42 -48.09 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.418 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 17.5 mt -67.97 -42.9 80.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.0 m -47.63 -36.75 11.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 122' ' ' LEU . 46.5 mtt-85 -85.01 -56.65 3.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.749 HD11 ' CE2' ' A' ' 93' ' ' PHE . 21.8 tp -34.97 -44.84 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.613 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 59.6 p -45.49 -48.5 14.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 124' ' ' ARG . 15.4 mtp-105 -42.09 -37.82 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 122' ' ' LEU . 61.7 p -42.35 148.64 0.5 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.571 0.701 . . . . 0.0 111.135 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -0.46 6.93 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.365 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.443 HG22 ' HB3' ' A' ' 57' ' ' LEU . 5.4 mp -96.27 -41.93 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -66.84 -41.81 86.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 132' ' ' GLY . 49.7 mt -70.89 -44.62 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -37.79 -47.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.9 p -60.92 -37.42 82.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 95.99 25.94 12.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 70.4 mt -81.88 146.17 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 111.099 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -37.47 99.39 0.18 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.268 . . . . 0.0 112.387 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.76 0.234 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.637 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 4.9 p-90 -78.59 -29.47 46.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.461 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 21.2 mmtm -58.65 -51.85 68.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -69.19 -46.26 67.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.2 t -42.39 -47.8 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.556 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -39.92 -48.15 2.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -54.02 -61.0 2.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.539 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 16.8 t90 -45.26 -48.03 12.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.835 ' O ' HG22 ' A' ' 23' ' ' VAL . 17.9 mt -53.73 -51.37 63.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.9 mt -55.78 -41.2 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -74.5 -30.31 61.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.539 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 94.3 m -71.02 0.19 8.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt 67.46 48.51 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.835 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.5 m -127.57 -29.82 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.859 HD22 ' CE1' ' A' ' 28' ' ' HIS . 89.7 mt -131.36 147.35 65.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.585 0.707 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.454 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.75 156.52 63.16 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.733 2.289 . . . . 0.0 112.331 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.6 p -66.27 -28.73 68.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -106.01 21.86 16.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.859 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.3 t-160 -49.31 176.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -87.26 -21.63 25.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.0 m -72.26 -22.27 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.4 p -77.67 -15.96 58.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.5 m95 -67.84 129.45 39.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -52.53 -25.18 9.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 m -73.3 -35.49 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.46 166.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -144.52 160.53 40.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.637 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 3.3 m -38.29 -38.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.71 ' CE1' HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -60.45 -57.59 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -40.66 -58.59 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 18' ' ' LEU . 47.2 tp -66.0 -27.4 68.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.509 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . . . -77.46 -22.68 51.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -76.07 -51.65 11.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.409 ' CG2' ' HG ' ' A' ' 44' ' ' LEU . 2.7 t -53.87 -25.17 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.409 ' HG ' ' CG2' ' A' ' 43' ' ' THR . 10.3 mt -102.57 -18.59 15.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -55.55 -39.9 71.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.447 ' CB ' HG23 ' A' ' 48' ' ' VAL . 41.1 m-20 -80.94 14.52 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.77 30.1 0.9 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.447 HG23 ' CB ' ' A' ' 46' ' ' ASP . 65.6 t -80.69 -54.75 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.52 HD21 ' HB ' ' A' ' 23' ' ' VAL . 22.3 tp -77.84 -45.35 24.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 49' ' ' LEU . 11.1 mt -34.55 -58.92 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.3 m -56.13 -40.22 73.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 49' ' ' LEU . 24.8 mt-30 -60.33 -45.08 94.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.1 tp -42.74 -55.36 3.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.737 HD12 HD11 ' A' ' 62' ' ' ILE . 52.8 mt -62.01 -44.45 96.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 71.5 m-20 -59.19 -23.66 62.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -78.34 -49.21 14.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.604 ' HB3' HG22 ' A' ' 127' ' ' ILE . 20.3 mt -64.17 -53.35 50.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.632 ' HB2' HG21 ' A' ' 127' ' ' ILE . 13.6 ttt180 -118.27 157.71 26.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.07 148.95 21.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.0 m170 61.7 25.32 15.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -70.9 -47.02 61.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.737 HD11 HD12 ' A' ' 54' ' ' LEU . 68.9 mt -147.59 130.43 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -80.66 111.22 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.452 HD23 HD11 ' A' ' 67' ' ' ILE . 86.3 mt -49.18 -36.9 20.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 12.8 mptt -62.36 -38.52 89.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.86 -23.52 67.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.653 ' CG2' HG21 ' A' ' 84' ' ' THR . 27.0 pt -104.97 127.71 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.411 ' CB ' HD22 ' A' ' 77' ' ' LEU . 24.8 m-80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 46.8 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.889 0.376 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -54.94 -71.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.411 HD22 ' CB ' ' A' ' 68' ' ' ASN . 29.5 mt -44.48 -55.78 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 46.1 t -46.49 -68.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 28.6 mt -45.99 -43.51 14.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.4 ' HE3' ' ND2' ' A' ' 68' ' ' ASN . 0.5 OUTLIER -58.04 -56.56 20.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 82' ' ' ILE . 70.8 m-20 -49.42 -62.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 81' ' ' ASN . 90.5 mt -33.95 -55.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 86' ' ' LEU . 16.1 mtt-85 -57.71 -55.43 35.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.653 HG21 ' CG2' ' A' ' 67' ' ' ILE . 86.2 m -39.35 -32.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -82.6 -39.66 21.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 83' ' ' ARG . 73.1 mt -60.96 -36.54 79.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.564 ' CG2' ' N ' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -66.52 -47.36 73.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.117 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.564 ' N ' ' CG2' ' A' ' 87' ' ' THR . . . -57.66 -30.04 65.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 3.7 m -65.98 -15.8 63.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 21.9 t -120.31 -20.58 7.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -93.22 -45.29 7.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.3 m -82.44 -52.86 6.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.402 ' CE2' HD11 ' A' ' 122' ' ' LEU . 6.1 m-85 -87.24 -56.99 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 99.17 56.89 0.98 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 70.2 mtp -102.45 179.1 4.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -78.56 105.16 9.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -53.44 -19.95 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.0 t -69.09 -31.0 69.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -76.73 -35.65 57.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 73.7 mt -49.07 160.47 0.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.545 ' CE1' HG13 ' A' ' 115' ' ' VAL . 36.3 p90 -94.1 159.88 14.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.63 179.37 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.01 -25.51 15.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -84.81 -49.59 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -38.57 -43.32 0.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.9 tp -75.89 -51.48 12.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 17.3 t80 -51.26 -62.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -74.19 3.66 6.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.71 HG21 ' CE1' ' A' ' 38' ' ' PHE . 43.2 t 48.37 43.54 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -69.1 -60.92 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -133.61 97.3 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.539 ' CD2' HD11 ' A' ' 116' ' ' ILE . 41.3 t80 -69.26 -38.41 78.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.78 -45.55 13.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -56.3 -30.82 63.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.545 HG13 ' CE1' ' A' ' 101' ' ' PHE . 19.5 t -77.38 -38.78 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.539 HD11 ' CD2' ' A' ' 112' ' ' PHE . 45.2 mt -64.22 -36.4 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -56.62 -51.38 68.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 98.3 m -44.45 -50.49 9.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.6 mt -55.86 -55.99 25.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.8 t -41.13 -41.71 1.83 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -75.01 -50.29 17.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.402 HD11 ' CE2' ' A' ' 93' ' ' PHE . 18.3 tp -42.19 -49.73 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.406 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 54.5 p -40.7 -44.19 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.408 ' CG ' ' N ' ' A' ' 125' ' ' THR . 26.2 ptt180 -45.18 -42.41 9.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.408 ' N ' ' CG ' ' A' ' 124' ' ' ARG . 71.6 p -43.36 145.94 0.97 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 111.083 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 0.3 5.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.632 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.2 mp -95.07 -39.59 10.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.406 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -71.65 -48.57 46.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 42.0 mt -63.98 -36.04 82.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.82 -50.67 5.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 37.7 p -49.68 -33.34 15.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 104.98 11.83 29.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 53.1 mt -75.38 140.25 17.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 0.0 111.132 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 62.0 mmt-85 -65.5 137.68 96.61 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.6 p -66.84 99.49 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.889 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -110.57 144.38 39.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.65 130.9 43.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -123.74 162.02 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 0.0 110.853 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -135.62 122.9 21.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.79 176.87 15.04 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 ttt -94.07 134.23 36.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.724 0.297 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -87.38 152.43 52.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.656 0.741 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -9.94 27.31 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.339 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.527 ' CD1' HG13 ' A' ' 37' ' ' VAL . 6.9 p-90 -86.12 -23.96 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -67.92 -54.25 20.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -66.34 -32.81 74.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.7 t -57.12 -45.48 83.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -43.0 -48.91 6.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' TRP . 6.8 mm-40 -52.22 -66.97 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.519 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 36.6 t90 -37.5 -47.7 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.915 ' O ' HG22 ' A' ' 23' ' ' VAL . 61.3 mt -54.89 -54.16 46.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.418 HD11 ' CG2' ' A' ' 31' ' ' THR . 77.9 mt -53.71 -47.14 62.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -66.5 -32.36 73.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.519 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 65.1 m -70.8 -0.7 9.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm 69.48 47.49 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.915 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.3 m -126.5 -28.83 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.925 HD22 ' CE1' ' A' ' 28' ' ' HIS . 63.9 mt -129.92 146.22 60.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.632 0.73 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 54.2 Cg_endo -69.76 147.84 63.79 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.402 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.8 p -61.53 -21.2 64.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -111.36 20.92 16.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.925 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.4 t-160 -51.38 169.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 11.7 ptm180 -82.36 -18.37 42.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.456 HG13 ' ND1' ' A' ' 28' ' ' HIS . 6.2 m -76.02 -16.8 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.418 ' CG2' HD11 ' A' ' 19' ' ' ILE . 39.8 p -82.19 -8.43 59.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.406 ' CD1' ' HA ' ' A' ' 29' ' ' ARG . 25.3 m95 -80.09 139.73 36.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -41.64 78.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.3 m -58.39 -22.24 53.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 32' ' ' TRP . . . -64.14 168.29 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' VAL . 81.0 mt-30 -154.55 163.79 39.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.527 HG13 ' CD1' ' A' ' 11' ' ' TRP . 5.3 m -36.01 -40.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -55.63 -62.43 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -41.0 -55.96 2.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.406 HD11 ' CD1' ' A' ' 18' ' ' LEU . 38.2 tp -66.3 -26.42 67.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.438 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . . . -80.67 -12.72 59.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -86.75 -50.29 6.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.44 HG23 ' HG ' ' A' ' 44' ' ' LEU . 8.3 t -51.23 -20.44 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 47' ' ' GLY . 4.5 mt -107.71 -24.4 11.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.976 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -41.12 -32.34 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -75.18 -38.03 61.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 89.54 16.71 56.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.479 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.8 t -88.67 -28.02 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.371 . . . . 0.0 111.095 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLN . 16.4 tp -83.97 -51.36 7.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.562 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . 11.6 mt -37.22 -54.41 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.709 ' HA ' HD12 ' A' ' 62' ' ' ILE . 97.1 m -52.28 -40.87 62.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' LEU . 30.4 mt-30 -60.71 -51.79 67.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.0 tp -38.9 -56.47 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.834 HD12 HD11 ' A' ' 62' ' ' ILE . 43.0 mt -60.82 -40.75 93.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 88.4 m-20 -63.62 -21.9 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -80.74 -47.11 14.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.16 -54.54 24.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.547 ' HB2' HG21 ' A' ' 127' ' ' ILE . 19.3 ttt180 -114.82 159.96 20.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.21 143.72 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 60.82 35.51 19.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 m -79.52 -44.14 21.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.834 HD11 HD12 ' A' ' 54' ' ' LEU . 36.9 mt -145.77 127.45 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -75.17 107.91 7.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.9 mt -48.17 -34.04 9.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -66.45 -35.34 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.98 -24.46 66.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.662 HG21 ' SG ' ' A' ' 51' ' ' CYS . 17.3 pt -105.35 142.36 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -77.97 90.17 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.5 mt -52.09 -33.06 37.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -116.43 81.27 10.85 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.608 0.718 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -22.63 31.71 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.663 2.242 . . . . 0.0 112.382 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 51.91 43.54 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 30.5 mmt 58.18 50.01 10.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.446 ' HB2' HD12 ' A' ' 77' ' ' LEU . 3.6 m -106.14 123.72 48.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -63.75 -51.4 65.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -57.77 -49.33 76.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.446 HD12 ' HB2' ' A' ' 74' ' ' SER . 84.3 mt -63.79 -50.42 69.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 37.0 m -51.87 -66.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.7 mt -42.98 -42.75 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 -52.3 65.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -51.29 -61.25 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.3 mt -40.38 -52.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.643 ' HA ' HD12 ' A' ' 86' ' ' LEU . 11.6 mtp85 -52.3 -47.26 66.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.6 m -49.04 -42.91 39.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 50' ' ' LEU . 2.5 t80 -65.86 -42.92 89.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 83' ' ' ARG . 19.2 mt -61.53 -35.0 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.774 HG22 ' HG3' ' A' ' 91' ' ' GLU . 11.2 m -71.31 -48.14 52.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.16 -22.73 61.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 6.2 m -70.17 -21.27 63.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 62.5 m -113.85 -18.35 11.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.774 ' HG3' HG22 ' A' ' 87' ' ' THR . 5.3 mm-40 -91.26 -48.82 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.6 m -80.57 -47.26 14.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.514 ' CE2' HD11 ' A' ' 122' ' ' LEU . 16.0 m-85 -93.7 -61.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.53 56.61 0.81 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 34.3 mtm -100.3 -179.02 3.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -66.66 154.24 41.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -95.88 -17.88 20.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.5 t -81.29 -37.67 28.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.451 ' N ' ' CD ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -60.93 -46.48 90.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.0 mt -38.43 157.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CE2' HG13 ' A' ' 115' ' ' VAL . 50.2 p90 -95.15 164.15 12.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -81.11 121.21 25.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.66 -47.05 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 14.4 t80 -58.91 -56.72 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 104' ' ' PHE . 40.4 m-20 -38.2 -41.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.469 HD13 HG21 ' A' ' 115' ' ' VAL . 38.3 tp -75.68 -53.17 8.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -50.44 -65.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.414 ' HB3' ' CG ' ' A' ' 110' ' ' ARG . 9.8 t0 -70.79 -6.23 36.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.0 t 57.96 37.71 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.414 ' CG ' ' HB3' ' A' ' 108' ' ' ASP . 19.2 mtp180 -69.23 -64.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -120.71 86.27 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 41' ' ' ALA . 45.7 t80 -68.11 -40.07 82.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.48 -30.74 4.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -67.69 -34.4 76.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.623 HG13 ' CE2' ' A' ' 101' ' ' PHE . 16.2 t -72.5 -40.34 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 14.1 mt -56.75 -44.69 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -60.35 -43.32 96.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 89.6 m -47.47 -34.55 7.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.0 mt -80.5 -33.81 36.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.547 ' OG ' ' CE2' ' A' ' 136' ' ' PHE . 9.7 m -54.15 -37.05 63.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 121' ' ' ARG . 4.5 mtm105 -77.17 -51.21 11.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 93' ' ' PHE . 9.6 tp -43.93 -48.55 8.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 4.5 p -42.07 -37.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.444 ' CG ' ' N ' ' A' ' 125' ' ' THR . 13.1 ptt180 -55.85 -44.48 78.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 124' ' ' ARG . 81.5 p -36.02 146.48 0.2 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.577 0.703 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.01 3.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.547 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -100.06 -32.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -79.5 -41.59 27.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 29.5 mt -69.5 -39.73 77.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.76 -48.72 5.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.3 p -56.6 -32.66 65.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.98 22.18 36.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 134' ' ' ARG . 46.0 mt -81.66 135.25 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 0.0 111.134 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 133' ' ' ILE . 16.4 mmm-85 -32.84 96.17 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.561 0.696 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 133' ' ' ILE . 54.1 Cg_endo -69.7 163.24 38.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.41 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.547 ' CE2' ' OG ' ' A' ' 120' ' ' SER . 11.7 m-85 -71.69 158.98 86.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.606 0.717 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 115.64 4.19 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 67.1 m -86.26 128.38 34.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 136.67 152.19 6.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -28.26 25.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 15.1 t -49.4 130.77 20.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 54.3 p -86.85 118.11 26.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -160.97 145.25 13.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -49.87 123.35 7.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.96 145.95 12.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -64.24 93.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -76.19 143.72 40.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.86 -169.99 43.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.53 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -99.67 93.82 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.732 0.301 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -45.09 152.56 0.58 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.665 0.745 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -3.36 11.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.365 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.643 ' CD1' HG13 ' A' ' 37' ' ' VAL . 8.3 p-90 -98.76 -28.36 13.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 23.5 mmtt -58.82 -52.83 64.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -68.12 -38.36 82.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.3 t -48.83 -49.02 41.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.476 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -40.03 -49.56 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -51.9 -65.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.454 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 18.6 t90 -41.79 -45.55 3.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.889 ' O ' HG22 ' A' ' 23' ' ' VAL . 39.6 mt -57.84 -50.55 72.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.27 -43.53 76.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.567 ' HB3' HG23 ' A' ' 133' ' ' ILE . 22.8 m-70 -72.34 -30.77 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.454 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 56.2 m -71.31 -1.05 11.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 67.79 49.33 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.889 HG22 ' O ' ' A' ' 18' ' ' LEU . 35.5 m -125.57 -29.36 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.037 HD22 ' CE1' ' A' ' 28' ' ' HIS . 63.8 mt -133.76 151.24 76.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.634 0.73 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.82 152.96 69.16 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.285 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.4 p -62.99 -29.16 70.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.66 24.08 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 1.037 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.8 t-160 -50.48 170.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.4 ptt-85 -78.35 -26.19 46.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.9 m -69.58 -25.04 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.8 p -68.42 -38.82 81.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -53.26 148.95 7.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -64.04 -47.91 78.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 t -50.34 -22.5 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.95 160.53 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -147.54 170.29 17.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.643 HG13 ' CD1' ' A' ' 11' ' ' TRP . 3.8 m -40.8 -51.4 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -45.95 -61.41 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -38.84 -59.67 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 18' ' ' LEU . 61.4 tp -63.69 -25.03 68.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -78.76 -23.73 45.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -79.84 -53.59 6.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.652 HG23 ' HG ' ' A' ' 44' ' ' LEU . 14.8 t -47.92 -24.23 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.142 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.652 ' HG ' HG23 ' A' ' 43' ' ' THR . 13.5 mt -104.56 -23.73 13.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -46.36 -28.59 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -66.99 -43.69 82.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.9 24.4 22.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.8 t -104.92 -35.12 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.43 ' HB3' HD23 ' A' ' 44' ' ' LEU . 22.7 tp -77.5 -48.75 16.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -39.06 -56.54 1.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.469 ' HA ' HD12 ' A' ' 62' ' ' ILE . 66.6 m -51.33 -43.81 61.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' LEU . 14.6 mt-30 -55.77 -53.62 54.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' GLN . 18.5 tp -36.31 -55.28 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.715 HD12 HD11 ' A' ' 62' ' ' ILE . 47.7 mt -58.59 -45.2 89.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -57.85 -32.4 67.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -69.02 -50.84 45.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.554 HD13 ' HB2' ' A' ' 128' ' ' ALA . 22.0 mt -65.83 -56.64 10.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.779 ' HB2' HG21 ' A' ' 127' ' ' ILE . 9.8 ttm-85 -109.45 160.26 16.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.83 143.88 26.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 58.77 26.62 14.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 m -66.13 -41.26 90.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.715 HD11 HD12 ' A' ' 54' ' ' LEU . 37.3 mt -148.57 137.04 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -83.62 105.68 14.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.0 mt -46.73 -31.95 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -69.17 -34.27 74.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.54 -21.94 66.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.7 pt -108.16 138.73 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -76.3 86.76 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.4 mt -46.47 -31.45 2.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 70' ' ' ARG . 8.2 ttm105 -117.11 83.23 14.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.407 ' HA ' HD12 ' A' ' 77' ' ' LEU . 54.1 Cg_endo -69.76 -18.46 36.99 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.677 2.251 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 52.36 37.71 23.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.7 mmt 56.48 51.28 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -111.2 99.93 8.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.801 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.479 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 47.7 tt0 -38.03 -39.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -59.93 -51.14 70.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 71' ' ' PRO . 47.2 mt -71.58 -59.35 2.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.8 t -39.56 -51.07 2.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.2 -46.97 88.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.443 ' C ' ' CD ' ' A' ' 80' ' ' LYS . 2.9 tmtm? -58.0 -56.19 25.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' ILE . 23.5 m-20 -44.61 -64.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' ASN . 84.9 mt -37.74 -57.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -49.23 -43.07 42.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.8 m -51.71 -43.65 62.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -63.61 -62.1 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.768 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 14.0 mt -48.27 -35.34 11.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 88.5 m -62.14 -36.33 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.9 -33.26 68.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.4 m -59.22 -13.89 9.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 39.4 t -114.64 -26.84 7.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -90.2 -57.56 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.405 HG22 ' HD2' ' A' ' 58' ' ' ARG . 52.3 m -67.43 -55.98 11.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.553 ' CD2' HG21 ' A' ' 125' ' ' THR . 73.1 m-85 -87.49 -66.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 101.78 68.97 0.83 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.7 ptm -116.75 170.7 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -59.7 118.03 5.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -37.0 85.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -56.67 -25.18 53.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -78.75 -37.34 41.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.6 mt -52.27 160.6 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.768 ' CZ ' HD21 ' A' ' 86' ' ' LEU . 48.7 p90 -91.38 178.11 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 103' ' ' ALA . 16.1 mm-40 -100.54 120.66 40.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 102' ' ' GLU . . . -34.67 -43.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.081 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' ASP . 17.4 t80 -60.77 -60.29 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' PHE . 23.3 m-20 -36.79 -38.3 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.0 tp -75.14 -59.4 2.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.479 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 15.7 t80 -47.4 -60.34 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -74.32 -3.75 32.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 t 53.2 35.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -59.24 -66.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.11 95.99 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.527 ' CD2' HD11 ' A' ' 116' ' ' ILE . 46.2 t80 -67.97 -33.29 74.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.08 -32.09 27.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.492 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -67.35 -40.07 85.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.568 HG22 ' CG ' ' A' ' 101' ' ' PHE . 59.0 t -68.83 -41.29 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.527 HD11 ' CD2' ' A' ' 112' ' ' PHE . 40.9 mt -57.65 -49.01 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -51.03 -51.0 57.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 89.5 m -40.78 -48.46 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 27.7 mt -62.22 -45.22 94.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.517 ' HA ' ' CG ' ' A' ' 136' ' ' PHE . 38.8 t -45.51 -37.02 4.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -83.11 -53.76 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.724 ' O ' HG23 ' A' ' 125' ' ' THR . 22.6 tp -40.77 -42.02 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.507 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 88.8 p -49.81 -47.05 51.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -43.74 -33.23 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 122' ' ' LEU . 72.7 p -45.42 147.17 1.46 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.585 0.707 . . . . 0.0 111.144 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -2.64 10.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.779 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.2 mp -94.75 -36.61 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.554 ' HB2' HD13 ' A' ' 57' ' ' LEU . . . -74.33 -40.31 62.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 132' ' ' GLY . 47.0 mt -72.18 -40.42 67.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.46 -50.8 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 37.3 p -57.13 -33.1 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 91.08 23.68 29.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.567 HG23 ' HB3' ' A' ' 20' ' ' HIS . 59.4 mt -79.89 141.12 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 111.119 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 135' ' ' PRO . 34.3 mmm-85 -36.28 98.68 0.16 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.718 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 53.9 Cg_endo -69.77 145.51 57.32 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.517 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 16.5 m-85 -54.9 143.72 50.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.635 0.731 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 160.89 48.01 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.371 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.9 t -171.4 143.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -157.27 168.18 34.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.443 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 95.07 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 50.7 m -91.79 156.73 17.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 34.1 p -111.74 132.41 54.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.824 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -133.24 164.66 26.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -141.96 177.31 8.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.44 147.63 17.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 p -72.32 112.17 8.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.384 . . . . 0.0 110.864 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m 43.76 43.82 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.81 -127.58 5.0 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 tpp -109.48 142.92 39.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.716 0.294 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HB2' ' CD1' ' A' ' 11' ' ' TRP . 18.3 mt-10 -76.33 152.61 83.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.633 0.73 . . . . 0.0 110.934 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -3.32 11.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.25 . . . . 0.0 112.355 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.567 ' CZ2' ' HD2' ' A' ' 12' ' ' LYS . 6.1 p-90 -94.14 -42.4 9.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.567 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 20.1 mmmt -45.91 -43.96 14.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -80.67 -41.57 23.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.7 t -49.4 -39.55 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -48.13 -45.61 33.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -55.48 -59.8 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 26.5 t90 -42.75 -46.86 5.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.845 ' O ' HG22 ' A' ' 23' ' ' VAL . 17.1 mt -56.55 -54.66 43.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.1 mt -53.07 -42.81 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -73.45 -29.64 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 68.8 m -71.71 1.12 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp 67.22 46.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.845 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.7 m -123.62 -29.95 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.823 HD22 ' CE1' ' A' ' 28' ' ' HIS . 55.8 mt -132.93 151.13 77.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.706 . . . . 0.0 110.959 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.475 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.81 161.04 47.45 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.2 p -69.75 -30.14 67.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -106.54 26.61 9.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.823 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.3 t-80 -53.14 -175.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 11.9 ptm180 -88.29 -33.95 17.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.7 m -63.46 -14.5 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.2 p -82.6 -30.81 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -57.05 130.09 44.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -47.32 -41.8 19.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.5 p -59.29 -37.65 78.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' ARG . . . -43.67 160.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.069 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' VAL . 69.5 mt-30 -146.75 160.31 42.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.526 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.6 m -34.52 -46.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.482 ' CE1' HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -50.77 -59.98 3.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -40.88 -57.93 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.436 HD11 ' CD1' ' A' ' 18' ' ' LEU . 27.3 tp -63.35 -27.03 69.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -76.19 -27.68 56.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -74.28 -56.79 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.592 HG23 ' HG ' ' A' ' 44' ' ' LEU . 14.7 t -45.15 -21.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.592 ' HG ' HG23 ' A' ' 43' ' ' THR . 30.5 mt -107.37 -27.52 10.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -44.74 -37.79 3.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.44 -45.73 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.23 25.21 14.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.603 HG13 HD23 ' A' ' 69' ' ' LEU . 97.6 t -105.21 -32.99 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.897 0.38 . . . . 0.0 111.142 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 50' ' ' LEU . 42.7 tp -82.94 -53.26 5.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.4 mt -34.26 -59.24 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.411 ' SG ' HG21 ' A' ' 67' ' ' ILE . 94.9 m -48.39 -44.57 34.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' LEU . 19.2 mt-30 -55.54 -47.7 75.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' GLN . 56.8 tp -34.87 -63.45 0.32 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.775 HD22 ' CE1' ' A' ' 93' ' ' PHE . 58.1 mt -57.38 -46.81 83.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -53.81 -25.23 18.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -81.6 -43.8 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.43 ' HB3' HG22 ' A' ' 127' ' ' ILE . 25.2 mt -69.6 -53.66 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.47 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 9.0 ttt180 -118.28 159.36 23.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.21 146.85 23.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.6 m170 62.64 28.58 16.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.8 m -75.12 -44.67 45.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.601 HD11 HD12 ' A' ' 54' ' ' LEU . 63.7 mt -148.9 122.69 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 66' ' ' GLU . 48.7 t-20 -75.3 107.33 7.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.4 mt -43.35 -32.97 0.91 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -68.09 -38.78 82.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 63' ' ' ASN . 13.7 mt-10 -62.89 -27.0 69.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.637 ' CG2' HG21 ' A' ' 84' ' ' THR . 21.5 pt -103.59 130.06 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -65.7 113.41 4.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.603 HD23 HG13 ' A' ' 48' ' ' VAL . 23.5 mt -86.07 153.89 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 70' ' ' ARG . 4.5 mpt_? 55.15 54.98 10.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.588 0.709 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 70' ' ' ARG . 53.5 Cg_endo -69.73 -2.54 10.33 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.676 2.25 . . . . 0.0 112.326 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 71' ' ' PRO . 34.6 mt-30 34.44 43.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.9 mmt 62.28 53.08 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 75' ' ' GLN . 3.3 m -96.15 98.04 10.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 74' ' ' SER . 31.6 tt0 -34.68 -44.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -65.45 -58.57 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 78' ' ' CYS . 37.6 mt -63.76 -62.77 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.483 ' HG ' ' HD1' ' A' ' 107' ' ' PHE . 48.9 t -38.23 -61.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.0 mt -47.07 -56.45 6.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -58.75 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 82' ' ' ILE . 80.5 m-20 -41.74 -65.29 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 81' ' ' ASN . 71.7 mt -35.0 -53.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -54.94 -50.77 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.637 HG21 ' CG2' ' A' ' 67' ' ' ILE . 96.0 m -44.57 -38.63 4.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.429 ' CZ ' ' SG ' ' A' ' 89' ' ' CYS . 6.2 t80 -68.69 -60.2 2.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.542 HD22 ' HB3' ' A' ' 100' ' ' LEU . 19.9 mt -45.51 -28.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.481 HG22 ' HG3' ' A' ' 91' ' ' GLU . 17.5 m -69.8 -51.15 36.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.164 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -39.94 75.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.429 ' SG ' ' CZ ' ' A' ' 85' ' ' PHE . 56.2 m -52.31 -19.52 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 47.7 t -111.69 -27.91 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.481 ' HG3' HG22 ' A' ' 87' ' ' THR . 5.2 mm-40 -86.63 -54.89 4.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.47 ' CG2' ' HD3' ' A' ' 58' ' ' ARG . 67.9 m -68.15 -56.87 7.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.883 ' CE2' HD11 ' A' ' 122' ' ' LEU . 14.1 m-85 -88.94 -64.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.79 65.59 0.8 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.5 ptp -110.38 -175.56 2.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.788 0.328 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.43 ' CB ' ' HG2' ' A' ' 99' ' ' GLU . 15.7 mmt85 -65.06 100.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -54.93 -27.28 42.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -69.88 -29.82 67.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.451 ' HG3' ' NE ' ' A' ' 121' ' ' ARG . 15.7 mm-40 -70.47 -31.55 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.542 ' HB3' HD22 ' A' ' 86' ' ' LEU . 28.7 mt -52.68 160.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.619 ' CE1' HG13 ' A' ' 115' ' ' VAL . 10.0 p90 -94.19 178.8 5.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -93.81 161.66 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.98 68.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.622 ' CZ ' ' CG ' ' A' ' 108' ' ' ASP . 12.6 t80 -67.67 -47.89 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -37.28 -43.73 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.2 tp -81.22 -52.48 7.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.483 ' HD1' ' HG ' ' A' ' 78' ' ' CYS . 15.4 t80 -47.38 -58.61 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.622 ' CG ' ' CZ ' ' A' ' 104' ' ' PHE . 0.6 OUTLIER -81.98 16.11 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 109' ' ' VAL . 15.7 t 38.28 43.14 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.2 mtp85 -64.35 -63.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -134.26 99.2 4.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.544 ' CD2' HD11 ' A' ' 116' ' ' ILE . 30.0 t80 -71.26 -36.89 71.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.68 -36.17 6.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -66.15 -37.15 84.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.619 HG13 ' CE1' ' A' ' 101' ' ' PHE . 38.5 t -72.22 -38.32 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.544 HD11 ' CD2' ' A' ' 112' ' ' PHE . 57.4 mt -61.38 -47.67 92.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.426 ' C ' ' OE1' ' A' ' 117' ' ' GLU . 0.2 OUTLIER -54.2 -48.72 70.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 99.4 m -39.63 -49.69 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.67 -47.45 75.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.583 ' HA ' ' CD1' ' A' ' 136' ' ' PHE . 4.8 p -44.4 -38.04 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.451 ' NE ' ' HG3' ' A' ' 99' ' ' GLU . 25.7 mtp85 -77.48 -60.12 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.883 HD11 ' CE2' ' A' ' 93' ' ' PHE . 9.1 tp -38.97 -40.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 76.6 p -44.45 -45.11 8.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 125' ' ' THR . 11.3 ptt-85 -46.58 -36.42 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 122' ' ' LEU . 72.0 p -45.69 146.62 1.8 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 111.148 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 0.5 5.56 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.24 . . . . 0.0 112.341 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.43 HG22 ' HB3' ' A' ' 57' ' ' LEU . 5.2 mp -94.34 -44.98 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.75 77.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.093 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 33.0 mt -67.01 -38.14 85.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.04 -46.22 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 41.6 p -58.65 -34.41 71.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.5 26.45 17.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 134' ' ' ARG . 47.5 mt -85.17 139.65 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 135' ' ' PRO . 11.5 mmm180 -36.36 98.68 0.16 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.681 0.753 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 54.3 Cg_endo -69.71 140.86 43.92 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.583 ' CD1' ' HA ' ' A' ' 120' ' ' SER . 36.0 m-85 -49.05 156.49 0.94 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 138' ' ' SER . 53.6 Cg_endo -69.75 -1.69 8.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.351 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 137' ' ' PRO . 5.8 t -34.34 112.65 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -86.47 -173.77 49.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.433 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 95.01 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.1 m 64.27 42.25 5.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.3 m 54.4 42.01 31.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.52 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.0 t -53.32 98.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -50.37 -53.4 29.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.55 -132.45 6.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t -106.38 40.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.378 . . . . 0.0 110.859 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 p -135.42 156.89 48.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.92 173.68 27.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.9 ttm -99.35 103.68 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.731 0.301 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.482 ' HB2' ' CG ' ' A' ' 12' ' ' LYS . 12.1 mm-40 -47.4 161.45 0.32 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.668 0.747 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.457 ' HD2' ' CD ' ' A' ' 9' ' ' GLU . 53.8 Cg_endo -69.81 -47.11 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.648 2.232 . . . . 0.0 112.359 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.605 ' CD1' HG13 ' A' ' 37' ' ' VAL . 25.3 p-90 -60.25 -40.46 90.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.585 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 3.2 mmpt? -36.83 -63.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -64.3 -41.36 96.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.5 t -46.51 -49.48 18.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.36 -46.99 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -55.46 -55.21 34.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.542 ' CZ3' ' HB3' ' A' ' 119' ' ' LEU . 26.3 t90 -48.52 -46.09 38.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.906 ' O ' HG22 ' A' ' 23' ' ' VAL . 60.9 mt -56.97 -49.05 76.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 81.0 mt -57.47 -44.99 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.687 ' HB3' HG23 ' A' ' 133' ' ' ILE . 43.4 m-70 -69.93 -30.84 68.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.477 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 53.1 m -73.98 -0.2 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt 66.5 50.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 18' ' ' LEU . 35.6 m -127.6 -29.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.934 HD22 ' CE1' ' A' ' 28' ' ' HIS . 72.8 mt -129.12 147.3 64.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.677 0.751 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.441 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.79 155.36 66.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.709 2.272 . . . . 0.0 112.295 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.9 p -68.18 -18.75 64.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -113.09 17.31 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.934 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.3 t-160 -46.76 168.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -77.94 -43.8 28.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -53.18 -30.13 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.426 HG23 ' HB3' ' A' ' 28' ' ' HIS . 51.5 p -60.34 -31.71 70.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -63.63 136.22 57.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -53.27 -45.42 68.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -49.24 -44.3 43.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.05 160.35 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 37' ' ' VAL . 59.1 mt-30 -140.47 165.12 28.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.605 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.4 m -35.18 -47.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.688 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 11.0 t80 -46.03 -63.87 0.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' PHE . 9.4 t0 -37.23 -55.18 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.568 HD11 ' CD1' ' A' ' 18' ' ' LEU . 60.1 tp -65.21 -32.93 74.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -75.42 -14.25 60.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.688 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 40.4 mt-30 -86.93 -49.51 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 t -56.06 -14.16 2.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.445 ' CD2' HD23 ' A' ' 49' ' ' LEU . 11.2 mt -113.1 -25.18 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.97 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -43.8 -36.13 2.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -65.3 -45.71 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.67 26.92 8.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.8 t -101.54 -38.5 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 0.0 111.145 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 52' ' ' GLN . 23.5 tp -76.1 -53.71 7.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' LEU . 9.5 mt -35.02 -56.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.661 ' SG ' HG21 ' A' ' 67' ' ' ILE . 59.8 m -50.0 -42.54 49.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 49' ' ' LEU . 30.1 mt-30 -56.38 -50.68 70.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.3 tp -39.72 -60.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.719 HD12 HD11 ' A' ' 62' ' ' ILE . 51.8 mt -57.73 -40.31 79.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -64.57 -23.53 67.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -80.18 -43.32 21.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.9 mt -70.5 -53.78 14.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.605 ' HB2' HG21 ' A' ' 127' ' ' ILE . 27.4 ttt-85 -116.61 155.63 28.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.55 146.83 23.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.057 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 60.86 30.9 19.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 m -76.53 -42.62 42.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.719 HD11 HD12 ' A' ' 54' ' ' LEU . 26.1 mt -149.88 141.34 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -90.95 110.71 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.462 HD23 HD11 ' A' ' 67' ' ' ILE . 54.6 mt -49.04 -37.31 20.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -64.43 -35.99 82.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -68.51 -22.05 64.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.661 HG21 ' SG ' ' A' ' 51' ' ' CYS . 23.9 pt -105.84 137.14 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -66.88 104.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.6 mt -68.96 -44.89 72.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.3 ptt-85 -110.31 81.57 2.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.738 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -43.27 2.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.643 2.228 . . . . 0.0 112.394 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 70.27 35.02 2.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.7 mmt 68.1 52.19 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.759 ' OG ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -106.25 123.06 47.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -61.74 -66.68 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -43.06 -44.19 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.759 HD12 ' OG ' ' A' ' 74' ' ' SER . 94.1 mt -71.72 -70.0 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 77' ' ' LEU . 82.9 m -34.38 -52.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.7 mt -59.25 -41.89 89.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -60.31 -56.92 15.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 84' ' ' THR . 39.9 m-20 -43.8 -63.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.633 ' CD1' HD23 ' A' ' 106' ' ' LEU . 84.5 mt -35.82 -55.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.802 ' HA ' HD12 ' A' ' 86' ' ' LEU . 65.3 mtt180 -51.75 -43.61 63.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 81' ' ' ASN . 58.1 m -52.67 -42.25 64.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -69.42 -42.16 75.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.802 HD12 ' HA ' ' A' ' 83' ' ' ARG . 10.1 mt -61.25 -29.78 70.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.706 HG22 ' HG3' ' A' ' 91' ' ' GLU . 25.1 m -73.64 -43.57 59.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.85 -41.1 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 14.6 m -56.28 -22.7 31.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.561 ' SG ' HD11 ' A' ' 100' ' ' LEU . 84.4 m -107.04 -19.03 13.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.706 ' HG3' HG22 ' A' ' 87' ' ' THR . 5.2 mm-40 -95.03 -58.13 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.472 ' CG2' ' HD3' ' A' ' 58' ' ' ARG . 87.9 m -69.08 -49.89 53.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.706 ' CE2' HD11 ' A' ' 122' ' ' LEU . 24.7 m-85 -90.92 -64.32 1.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 109.75 53.28 0.59 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.6 mtp -93.29 168.47 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.7 mmt-85 -78.36 124.24 27.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -68.46 -14.35 62.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.3 t -76.75 -8.51 57.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -108.93 -29.75 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.561 HD11 ' SG ' ' A' ' 90' ' ' CYS . 86.9 mt -54.75 160.59 1.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.74 ' CE2' HG13 ' A' ' 115' ' ' VAL . 48.4 p90 -92.37 165.11 13.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -88.19 136.24 33.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.502 ' HA ' HG21 ' A' ' 82' ' ' ILE . . . -43.14 -48.05 6.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' ASP . 12.2 t80 -63.12 -55.39 25.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 104' ' ' PHE . 3.0 t70 -37.32 -32.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.817 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.633 HD23 ' CD1' ' A' ' 82' ' ' ILE . 8.4 tp -89.91 -47.53 7.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -50.92 -65.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.05 -3.58 27.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.1 t 58.52 47.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -70.36 -73.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -117.0 94.53 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -68.47 -34.63 76.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.25 -32.17 28.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -68.98 -36.83 78.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.74 HG13 ' CE2' ' A' ' 101' ' ' PHE . 21.7 t -73.55 -34.11 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 29.6 mt -65.57 -52.15 54.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 120' ' ' SER . 7.2 tp10 -50.0 -47.55 52.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.7 m -42.51 -45.51 4.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.542 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 14.3 mt -69.64 -29.51 67.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.519 ' HA ' ' CG ' ' A' ' 136' ' ' PHE . 38.8 m -61.17 -31.59 71.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -87.13 -44.77 11.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.706 HD11 ' CE2' ' A' ' 93' ' ' PHE . 7.7 tp -46.57 -55.38 7.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.561 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 76.5 p -39.72 -43.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -46.61 -43.62 17.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 122' ' ' LEU . 69.1 p -39.54 149.51 0.26 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.182 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -7.25 20.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.605 HG21 ' HB2' ' A' ' 58' ' ' ARG . 4.5 mp -88.51 -35.15 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -76.73 -43.93 35.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.03 -35.32 78.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.57 -46.85 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 47.4 p -62.16 -37.91 87.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.77 23.58 17.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.687 HG23 ' HB3' ' A' ' 20' ' ' HIS . 42.2 mt -79.82 138.13 20.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 111.161 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 133' ' ' ILE . 22.2 mmt180 -32.78 96.07 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.635 0.731 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.9 Cg_endo -69.74 154.71 67.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.519 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 21.0 m-85 -62.27 156.63 59.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.663 0.744 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -11.84 31.71 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.276 . . . . 0.0 112.358 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 61.3 p -71.87 101.68 2.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -76.92 148.57 35.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 129.89 18.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.32 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 142' ' ' SER . 24.5 m -60.85 141.12 57.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 141' ' ' SER . 2.9 m -37.5 -54.73 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 m -75.96 134.92 40.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.844 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -131.44 -44.2 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.54 167.56 4.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.459 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p -129.57 152.83 48.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 0.0 110.85 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 t -104.37 102.63 12.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 125.54 144.46 6.24 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 7' ' ' GLY . 33.9 tpp -37.47 126.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -54.88 149.02 24.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.638 0.732 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -18.86 36.45 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.33 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.597 ' CD1' HG13 ' A' ' 37' ' ' VAL . 15.9 p-90 -92.77 -43.99 8.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 22.8 mmtt -41.46 -43.21 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -81.6 -40.81 22.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.4 t -50.99 -39.58 55.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.91 -42.3 26.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -58.97 -61.77 2.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.49 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 12.2 t90 -42.26 -49.59 5.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.844 ' O ' HG22 ' A' ' 23' ' ' VAL . 64.8 mt -51.79 -54.37 29.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 77.0 mt -53.29 -43.69 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -73.11 -28.34 62.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.49 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 68.5 m -72.71 2.02 7.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.822 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt 66.2 46.62 2.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.844 HG22 ' O ' ' A' ' 18' ' ' LEU . 33.4 m -124.84 -29.32 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.003 HD22 ' CE1' ' A' ' 28' ' ' HIS . 81.6 mt -132.14 151.55 78.6 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.614 0.721 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.475 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 54.0 Cg_endo -69.71 167.47 24.29 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.2 p -74.72 -30.34 61.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -106.16 24.92 11.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 1.003 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.0 t-160 -51.25 -177.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 30' ' ' VAL . 9.2 ptp85 -88.15 -39.23 14.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.473 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 4.3 m -57.15 -20.45 12.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.9 p -74.97 -30.18 61.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -60.0 143.37 51.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.75 -34.79 77.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 t -62.68 -33.02 74.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.4 163.63 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 37' ' ' VAL . 80.0 mt-30 -148.84 161.01 42.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.597 HG13 ' CD1' ' A' ' 11' ' ' TRP . 5.0 m -33.95 -38.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -60.79 -57.23 13.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.47 -57.83 1.71 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.768 HD11 ' CD1' ' A' ' 18' ' ' LEU . 35.8 tp -67.04 -26.16 66.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.38 -23.14 50.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -77.53 -56.14 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.1 t -46.58 -23.95 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' GLY . 26.8 mt -102.09 -33.21 9.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' LEU . 13.3 ttt180 -37.9 -42.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.04 -45.1 83.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 94.32 31.36 8.02 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.585 HG13 HD23 ' A' ' 69' ' ' LEU . 60.6 t -107.56 -35.96 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 111.156 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.5 tp -78.95 -47.98 15.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.6 mt -37.78 -58.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.557 ' SG ' HG21 ' A' ' 67' ' ' ILE . 62.9 m -49.49 -42.64 44.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' LEU . 24.5 mt-30 -56.65 -52.0 66.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' GLN . 52.4 tp -34.33 -66.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.633 HD12 HD11 ' A' ' 62' ' ' ILE . 43.0 mt -53.13 -41.51 65.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -61.76 -27.85 69.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -76.42 -43.2 41.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.425 ' HB3' HG22 ' A' ' 127' ' ' ILE . 25.8 mt -70.66 -54.97 9.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.586 ' HB2' HG21 ' A' ' 127' ' ' ILE . 47.1 ttt-85 -116.76 156.95 26.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.47 146.72 23.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 62.37 29.35 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 m -75.59 -43.91 45.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.633 HD11 HD12 ' A' ' 54' ' ' LEU . 59.5 mt -148.99 121.3 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.156 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.478 ' HB3' ' CG ' ' A' ' 66' ' ' GLU . 44.1 t-20 -72.86 109.8 6.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 74.2 mt -47.58 -37.37 12.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -63.81 -32.17 73.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.478 ' CG ' ' HB3' ' A' ' 63' ' ' ASN . 11.2 mm-40 -68.52 -25.18 64.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.557 HG21 ' SG ' ' A' ' 51' ' ' CYS . 25.1 pt -102.86 140.69 20.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -77.67 103.08 7.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.585 HD23 HG13 ' A' ' 48' ' ' VAL . 23.4 mt -78.41 141.29 38.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.444 ' N ' ' CD ' ' A' ' 71' ' ' PRO . 55.8 ttm-85 68.42 54.54 0.6 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.719 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.471 ' HA ' HD12 ' A' ' 77' ' ' LEU . 53.1 Cg_endo -69.8 -3.86 12.89 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.659 2.239 . . . . 0.0 112.313 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 38.99 40.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 21.3 mmt 65.16 52.66 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 75' ' ' GLN . 2.8 m -99.29 96.87 8.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 25.4 tt0 -34.66 -47.09 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.55 -55.73 31.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 71' ' ' PRO . 48.5 mt -65.2 -60.16 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 82.2 m -40.08 -62.01 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.1 mt -48.43 -51.56 26.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -60.62 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' THR . 70.8 m-20 -44.07 -64.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 81' ' ' ASN . 85.3 mt -34.49 -54.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -51.96 -44.85 64.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' ASN . 93.3 m -50.58 -44.43 56.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.09 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.91 -60.53 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.9 mt -47.29 -29.81 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.447 HG22 ' HG3' ' A' ' 91' ' ' GLU . 32.3 m -65.48 -57.07 9.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -53.07 -39.39 63.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.2 -19.26 2.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 69.2 m -113.09 -30.32 7.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.447 ' HG3' HG22 ' A' ' 87' ' ' THR . 8.6 mm-40 -89.67 -53.49 4.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 88' ' ' ALA . 63.6 m -68.26 -55.37 12.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -92.7 -62.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.58 62.26 0.69 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.401 ' SD ' ' OE2' ' A' ' 99' ' ' GLU . 25.1 mtm -107.84 160.27 15.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -57.55 96.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 19.7 ttmt -36.57 -41.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.5 p -51.19 -46.5 62.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 96' ' ' ARG . 4.0 pt-20 -56.21 -36.67 68.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 97' ' ' LYS . 23.0 mt -54.85 -179.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -113.09 176.56 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -79.14 -176.19 5.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.05 -33.19 10.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -81.3 -36.41 29.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.95 -46.05 42.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 27.5 tp -73.4 -54.91 7.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.506 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 22.2 t80 -49.56 -60.88 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -78.88 9.13 4.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 109' ' ' VAL . 6.7 t 40.82 44.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -69.72 -62.06 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -128.3 95.07 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 116' ' ' ILE . 21.5 t80 -70.6 -37.42 73.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.39 -37.29 8.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -65.94 -37.06 85.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.786 0.327 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.6 t -69.53 -41.54 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 112' ' ' PHE . 52.7 mt -59.91 -52.94 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 118' ' ' THR . 13.1 tm-20 -46.43 -58.91 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 117' ' ' GLU . 33.2 m -34.29 -50.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.202 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.68 -47.84 83.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.501 ' HA ' ' CG ' ' A' ' 136' ' ' PHE . 47.9 t -42.06 -45.47 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -75.12 -44.47 46.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 125' ' ' THR . 15.9 tp -42.64 -48.62 5.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 90.3 p -42.31 -44.75 3.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -44.08 -39.66 4.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 122' ' ' LEU . 65.4 p -42.7 147.02 0.66 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.604 0.716 . . . . 0.0 111.134 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 0.76 5.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.706 2.27 . . . . 0.0 112.322 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -96.71 -37.72 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -71.92 -43.51 65.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.29 -40.7 81.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.27 -49.07 5.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.6 p -57.56 -39.53 76.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.99 21.74 11.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.3 mt -78.19 142.08 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 111.098 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -43.79 110.27 0.94 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 141.02 44.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.501 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 19.6 m-85 -49.82 155.29 1.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.702 0.763 . . . . 0.0 110.828 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 118.63 5.79 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.656 2.237 . . . . 0.0 112.33 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.9 t -51.24 106.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -116.25 169.59 13.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 162.44 42.08 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 19.7 m -114.29 176.41 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.4 t -45.54 127.79 7.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.54 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t -53.65 145.19 15.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.6 p -93.59 117.86 30.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.7 151.68 7.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -130.75 42.74 3.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.853 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 t -60.24 107.67 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.74 172.78 41.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.7 ttt -102.61 97.71 7.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -48.36 157.0 0.73 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -20.9 34.18 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.673 2.248 . . . . 0.0 112.367 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.585 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 6.0 p-90 -65.22 -35.76 82.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.558 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 20.7 mmtt -59.84 -41.38 91.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -68.48 -49.82 56.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 15' ' ' ALA . 43.1 t -49.13 -51.69 30.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -35.18 -43.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -62.1 -58.32 8.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.55 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 29.7 t90 -46.42 -41.96 14.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.886 ' O ' HG22 ' A' ' 23' ' ' VAL . 18.3 mt -60.1 -53.36 58.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.3 mt -55.05 -38.14 45.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.499 ' HB3' HG23 ' A' ' 133' ' ' ILE . 31.1 m-70 -76.21 -31.76 58.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.55 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 65.6 m -71.11 0.4 7.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp 68.89 46.1 0.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.886 HG22 ' O ' ' A' ' 18' ' ' LEU . 29.5 m -122.96 -28.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.877 HD22 ' CE1' ' A' ' 28' ' ' HIS . 84.1 mt -133.91 149.01 70.58 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.573 0.702 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.515 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 54.1 Cg_endo -69.75 167.6 23.96 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.757 2.305 . . . . 0.0 112.332 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.6 p -73.83 -34.61 64.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -103.33 26.54 8.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.877 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.2 t-80 -51.28 -178.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -80.15 -31.3 38.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.7 m -68.73 -18.16 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.5 p -85.65 -23.53 27.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -51.59 154.87 1.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -67.56 -33.5 75.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 m -92.76 31.94 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -96.56 148.52 22.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' VAL . 48.7 mt-30 -141.99 160.47 40.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.585 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 6.7 m -34.22 -43.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.3 -58.12 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -39.97 -56.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.4 tp -67.17 -30.8 70.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.07 -25.59 62.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 44' ' ' LEU . 27.3 mt-30 -77.06 -63.77 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -42.61 -23.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 42' ' ' GLN . 31.7 mt -102.62 -31.19 10.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -40.12 -39.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -58.23 -49.91 75.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.38 28.07 8.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.504 HG13 HD23 ' A' ' 69' ' ' LEU . 87.6 t -104.97 -38.83 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 111.136 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 55.5 tp -74.12 -50.61 18.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' LEU . 14.1 mt -36.47 -54.61 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 53.0 m -54.84 -42.24 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' LEU . 27.2 mt-30 -56.45 -47.38 79.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' GLN . 68.5 tp -37.57 -59.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.927 HD22 ' CE1' ' A' ' 93' ' ' PHE . 78.0 mt -58.37 -47.24 84.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -54.67 -26.77 35.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -78.54 -46.23 20.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.3 mt -68.3 -55.01 13.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.468 ' HB2' HG21 ' A' ' 127' ' ' ILE . 11.2 ttt180 -115.02 158.78 21.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.76 148.74 21.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 58.48 34.54 24.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 m -80.6 -44.4 19.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.458 HD11 HD12 ' A' ' 54' ' ' LEU . 64.2 mt -147.98 127.09 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -77.85 105.91 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.4 ' HB3' HD11 ' A' ' 69' ' ' LEU . 74.5 mt -43.96 -34.09 1.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -64.24 -39.18 93.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.64 -29.91 70.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.595 HG23 HG21 ' A' ' 84' ' ' THR . 22.9 pt -100.55 140.24 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -76.33 105.79 7.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.504 HD23 HG13 ' A' ' 48' ' ' VAL . 16.4 mt -79.49 134.9 36.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 70' ' ' ARG . 16.2 ttm105 68.54 54.86 0.6 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.73 . . . . 0.0 110.877 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 70' ' ' ARG . 53.6 Cg_endo -69.74 -4.43 14.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.731 2.287 . . . . 0.0 112.336 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 46.35 39.95 7.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.2 mmt 63.36 45.49 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 75' ' ' GLN . 3.2 m -92.12 100.35 12.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.502 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 45.1 tt0 -34.47 -57.2 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -49.36 -55.91 11.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 78' ' ' CYS . 46.5 mt -66.79 -65.54 0.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 77' ' ' LEU . 85.6 m -34.55 -57.24 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.8 mt -50.79 -56.79 10.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.04 -55.01 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 82' ' ' ILE . 9.9 m-20 -48.38 -66.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 81' ' ' ASN . 83.7 mt -34.41 -51.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -52.63 -53.75 42.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.813 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.595 HG21 HG23 ' A' ' 67' ' ' ILE . 89.5 m -40.09 -42.33 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -64.22 -67.19 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 101' ' ' PHE . 7.0 mt -42.91 -28.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.1 m -64.68 -56.59 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -53.73 -37.71 63.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 73.0 m -49.52 -28.11 5.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 14.5 t -105.94 -24.79 12.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.93 -59.45 2.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 88' ' ' ALA . 86.2 m -63.76 -54.34 36.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.927 ' CE1' HD22 ' A' ' 54' ' ' LEU . 37.9 m-85 -92.71 -64.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.66 59.27 0.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.431 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.407 ' HE3' HD21 ' A' ' 100' ' ' LEU . 37.7 mtm -99.08 175.28 5.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -77.6 105.75 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -34.22 4.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.9 t -59.05 -35.23 72.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.92 -37.38 64.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.407 HD21 ' HE3' ' A' ' 95' ' ' MET . 76.3 mt -52.83 158.79 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.698 ' CE2' HG13 ' A' ' 115' ' ' VAL . 42.9 p90 -88.3 170.5 10.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -91.15 126.07 36.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.58 -41.68 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 105' ' ' ASP . 12.0 t80 -61.94 -58.96 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 104' ' ' PHE . 80.5 m-20 -36.67 -40.49 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.7 tp -73.51 -52.61 12.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.502 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 22.5 t80 -57.18 -57.39 12.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 109' ' ' VAL . 1.7 t70 -78.81 10.23 3.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' ASP . 3.5 t 37.45 48.78 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -74.69 -66.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -127.58 94.93 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -65.95 -42.1 90.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -44.15 -34.39 3.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.7 mtpt -63.58 -37.01 85.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.698 HG13 ' CE2' ' A' ' 101' ' ' PHE . 61.8 t -71.79 -40.31 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 55.8 mt -58.23 -46.96 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -52.36 -49.96 63.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 98.3 m -44.3 -51.18 8.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.8 mt -62.13 -40.77 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.492 ' HA ' ' CD2' ' A' ' 136' ' ' PHE . 37.8 t -50.0 -38.47 37.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 122' ' ' LEU . 38.6 mtp180 -81.61 -53.23 6.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 125' ' ' THR . 32.0 tp -37.15 -51.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.553 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 89.9 p -42.53 -47.43 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.437 ' NH1' ' HB2' ' A' ' 142' ' ' SER . 46.6 mmm-85 -42.57 -39.74 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 122' ' ' LEU . 76.6 p -40.21 149.08 0.31 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.545 0.688 . . . . 0.0 111.159 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.08 11.29 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.242 . . . . 0.0 112.345 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.468 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -93.29 -45.31 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -65.23 -40.87 94.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 58.1 mt -73.27 -38.72 65.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.19 -43.69 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 42.9 p -62.35 -39.07 91.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.48 25.32 13.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.499 HG23 ' HB3' ' A' ' 20' ' ' HIS . 73.6 mt -83.02 138.23 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.362 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 133' ' ' ILE . 26.3 mmt180 -32.72 95.67 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 133' ' ' ILE . 54.0 Cg_endo -69.72 143.17 50.17 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.492 ' CD2' ' HA ' ' A' ' 120' ' ' SER . 37.0 m-85 -45.36 156.95 0.38 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.611 0.72 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.5 3.49 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.293 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 47.6 p -63.99 140.57 58.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -90.5 171.73 36.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -2.17 9.7 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.262 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.6 m -80.67 -45.29 17.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.437 ' HB2' ' NH1' ' A' ' 124' ' ' ARG . 67.2 m -41.31 141.05 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.523 -179.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 m -84.41 146.67 27.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -99.41 119.48 38.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.18 -174.64 49.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -119.9 -58.37 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.928 0.394 . . . . 0.0 110.887 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 7' ' ' GLY . 94.4 p -41.38 121.33 1.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -38.01 -80.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 ttp -98.3 116.93 31.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -73.66 157.06 88.05 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.642 0.734 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 0.49 5.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.638 2.225 . . . . 0.0 112.328 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.628 ' CD1' HG13 ' A' ' 37' ' ' VAL . 5.7 p-90 -95.81 -36.91 10.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -53.44 -48.92 68.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.409 ' CD ' ' HG3' ' A' ' 137' ' ' PRO . 22.6 mt-30 -69.15 -48.94 61.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.2 t -41.23 -45.86 2.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.682 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -41.21 -45.51 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -55.27 -66.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.546 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 30.1 t90 -42.03 -40.22 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.83 ' O ' HG22 ' A' ' 23' ' ' VAL . 20.6 mt -61.66 -52.53 63.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.2 mt -56.73 -36.33 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -77.89 -30.96 51.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.546 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 57.3 m -71.92 0.52 9.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt 67.76 50.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.7 m -128.37 -29.92 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.994 HD22 ' CE1' ' A' ' 28' ' ' HIS . 67.4 mt -130.46 146.76 63.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.721 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.472 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.5 Cg_endo -69.7 154.88 67.43 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.0 p -65.32 -27.01 68.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -108.34 22.87 15.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.994 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.8 t-80 -49.25 177.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.08 -16.57 35.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.3 m -82.03 -13.49 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.0 p -83.01 -21.72 33.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -57.45 149.82 20.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -72.55 -15.34 61.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -101.3 21.55 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -95.11 158.64 15.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.077 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -139.22 162.14 35.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.628 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.7 m -37.89 -49.39 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.696 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 11.4 t80 -42.79 -62.55 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -38.49 -58.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.5 HD11 HD13 ' A' ' 18' ' ' LEU . 51.6 tp -64.95 -24.42 67.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -78.96 -26.35 43.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.696 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 52.3 mt-30 -73.82 -56.62 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.663 HG23 ' HG ' ' A' ' 44' ' ' LEU . 12.4 t -45.33 -27.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.165 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.663 ' HG ' HG23 ' A' ' 43' ' ' THR . 14.9 mt -102.92 -24.18 13.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -44.65 -31.91 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -53.9 16.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.19 19.24 9.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.48 -34.4 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' GLN . 20.7 tp -76.43 -52.39 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.99 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.552 HD22 ' CE2' ' A' ' 85' ' ' PHE . 12.0 mt -36.18 -56.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.541 ' SG ' HG21 ' A' ' 67' ' ' ILE . 86.7 m -52.4 -41.12 62.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' LEU . 25.8 mt-30 -57.18 -52.01 67.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 tp -38.64 -64.89 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.864 HD12 HD11 ' A' ' 62' ' ' ILE . 51.3 mt -51.17 -41.49 60.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 79.1 m-20 -64.33 -31.19 72.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -72.96 -44.4 61.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.65 -54.25 21.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.801 ' HB2' HG21 ' A' ' 127' ' ' ILE . 10.7 ttt85 -118.25 155.33 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.0 145.5 25.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 60.65 34.63 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -79.91 -43.38 22.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.864 HD11 HD12 ' A' ' 54' ' ' LEU . 36.6 mt -151.03 121.18 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -73.88 111.72 9.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.567 HD23 HD11 ' A' ' 67' ' ' ILE . 78.5 mt -47.95 -37.21 13.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -57.92 -40.33 80.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -62.4 -27.59 69.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.567 HD11 HD23 ' A' ' 64' ' ' LEU . 26.3 pt -103.56 138.9 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -70.46 91.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.9 mt -50.2 -18.05 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -128.22 87.47 55.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.609 0.719 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.522 ' O ' HD12 ' A' ' 77' ' ' LEU . 53.3 Cg_endo -69.78 -10.77 29.36 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.309 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 42.44 43.86 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 66.4 mmm 44.94 53.89 7.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -115.95 143.16 45.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.518 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 33.9 tt0 -72.55 -41.13 66.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -63.94 -46.56 84.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 71' ' ' PRO . 21.8 mt -71.4 -56.95 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 60.7 m -46.36 -57.86 4.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.3 mt -51.63 -55.85 16.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -49.01 -54.5 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 82' ' ' ILE . 61.4 m-20 -45.39 -66.93 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 81' ' ' ASN . 81.8 mt -34.98 -59.15 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -43.13 -53.42 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.53 HG21 ' CG2' ' A' ' 67' ' ' ILE . 88.5 m -42.55 -49.11 5.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.552 ' CE2' HD22 ' A' ' 50' ' ' LEU . 8.9 t80 -59.95 -51.01 71.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.563 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 23.7 mt -59.33 -28.98 67.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 87.5 m -63.85 -64.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -48.1 -42.62 29.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.3 m -43.63 -23.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.406 ' N ' ' C ' ' A' ' 88' ' ' ALA . 46.6 m -106.11 -23.07 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 88' ' ' ALA . 4.7 mt-10 -93.68 -64.62 1.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.9 m -64.92 -43.09 93.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.553 ' CD2' HD11 ' A' ' 122' ' ' LEU . 7.0 m-85 -97.1 -63.03 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.04 73.95 1.21 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 65.5 mtp -121.54 173.64 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.775 0.322 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.469 ' HB2' ' CG ' ' A' ' 99' ' ' GLU . 51.7 mtt85 -65.68 114.89 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -57.74 -31.83 66.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.0 p -66.57 -25.77 66.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.786 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 96' ' ' ARG . 5.7 mm-40 -74.57 -41.65 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.43 ' HB3' HD22 ' A' ' 86' ' ' LEU . 27.2 mt -48.37 166.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.854 ' CE2' HG13 ' A' ' 115' ' ' VAL . 43.7 p90 -96.02 178.19 5.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -94.48 141.75 28.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.11 -44.17 61.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 108' ' ' ASP . 4.3 t80 -72.37 -48.39 42.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -38.6 -35.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.476 HD13 HG21 ' A' ' 115' ' ' VAL . 23.7 tp -90.5 -47.79 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.518 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 11.3 t80 -51.36 -69.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.509 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 3.6 t0 -67.97 -9.17 43.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.0 t 66.87 37.05 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -61.31 -65.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -131.02 96.23 4.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -70.59 -36.38 73.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.48 -29.63 17.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -68.67 -36.23 78.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.854 HG13 ' CE2' ' A' ' 101' ' ' PHE . 20.8 t -73.93 -37.86 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 49.4 mt -61.23 -47.82 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -49.67 -51.75 35.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.2 m -43.84 -44.02 6.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.76 -31.32 64.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.1 t -60.29 -38.65 84.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -89.54 -34.51 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.553 HD11 ' CD2' ' A' ' 93' ' ' PHE . 44.6 tp -50.49 -49.18 56.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 79.9 p -43.32 -33.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.3 mtt-85 -52.72 -42.53 64.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 76.7 p -40.23 149.94 0.28 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.625 0.726 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -5.56 16.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.801 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -90.61 -38.89 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -70.51 -43.43 69.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 132' ' ' GLY . 54.3 mt -69.84 -39.33 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -39.69 -49.72 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 36.3 p -55.06 -36.9 66.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 100.37 20.36 15.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.6 mt -79.77 135.51 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -45.91 132.33 6.93 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 144.8 54.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -46.64 143.27 4.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.409 ' HG3' ' CD ' ' A' ' 13' ' ' GLN . 53.7 Cg_endo -69.75 -21.59 33.31 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.306 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.2 t -124.18 144.36 49.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -143.5 153.43 24.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 102.95 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.9 m -101.35 165.91 11.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 56.7 p -128.26 84.45 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.455 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -88.21 128.72 35.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.911 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -102.73 153.78 19.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -154.07 -138.35 2.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLY . 56.0 p 37.9 42.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.86 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -62.58 99.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.61 -63.47 3.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.7 ttm -125.59 120.59 31.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.763 0.315 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.88 154.89 0.18 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.636 0.731 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -19.94 35.58 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.72 2.28 . . . . 0.0 112.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.544 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 12.1 p-90 -95.66 -40.02 9.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.413 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 24.6 mmtt -43.87 -47.0 8.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -77.58 -36.39 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.4 t -51.54 -41.8 61.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.99 -42.81 8.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -59.06 -63.01 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 20.6 t90 -40.35 -43.43 1.76 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.821 ' O ' HG22 ' A' ' 23' ' ' VAL . 81.1 mt -58.57 -51.23 70.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.3 mt -58.12 -41.18 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.724 ' HB3' HG23 ' A' ' 133' ' ' ILE . 36.7 m-70 -74.12 -26.98 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 89.1 m -79.03 7.96 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? 57.05 47.96 16.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.821 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.1 m -125.83 -25.2 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.905 HD22 ' CE1' ' A' ' 28' ' ' HIS . 74.4 mt -136.32 147.79 61.6 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.461 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.6 Cg_endo -69.75 148.95 66.28 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.688 2.258 . . . . 0.0 112.31 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.1 p -62.09 -22.71 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -110.55 20.59 17.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.905 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.5 t-80 -49.42 171.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -81.08 -20.8 40.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 m -74.99 -22.95 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -69.99 -35.39 74.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -54.34 140.56 33.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.01 -48.78 77.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 m -47.69 -31.98 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.63 166.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -149.9 163.11 38.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.544 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 6.6 m -40.76 -41.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.678 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 9.8 t80 -54.57 -62.61 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' PHE . 60.5 m-20 -37.27 -58.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.715 HD11 HD11 ' A' ' 18' ' ' LEU . 46.2 tp -62.15 -29.07 70.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -78.83 -13.35 59.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.678 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 42.1 mt-30 -87.66 -51.38 5.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -53.82 -20.02 5.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.9 mt -106.89 -21.6 12.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -47.12 -43.2 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.78 -49.35 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.8 26.08 8.73 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.9 t -107.33 -36.57 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.9 tp -76.08 -51.89 11.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -39.76 -50.91 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.414 ' HA ' HD12 ' A' ' 62' ' ' ILE . 99.9 m -55.84 -41.97 75.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' LEU . 23.6 mt-30 -57.87 -49.8 75.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.465 HD21 ' CH2' ' A' ' 17' ' ' TRP . 24.1 tp -37.98 -53.22 1.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.859 HD12 HD11 ' A' ' 62' ' ' ILE . 24.7 mt -63.5 -45.33 91.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -58.09 -21.69 47.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -81.17 -48.64 11.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.7 mt -69.47 -51.42 36.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.442 ' HD2' HG22 ' A' ' 92' ' ' THR . 15.8 ttt-85 -114.76 155.92 25.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.599 ' O ' ' CD2' ' A' ' 60' ' ' HIS . . . -89.87 152.01 21.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 59' ' ' ALA . 28.3 p80 48.93 38.12 11.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.442 ' HB3' HG21 ' A' ' 92' ' ' THR . 1.1 m -80.38 -33.87 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.859 HD11 HD12 ' A' ' 54' ' ' LEU . 54.8 mt -156.1 127.47 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 66' ' ' GLU . 64.2 t-20 -76.89 106.12 8.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.5 mt -46.8 -30.11 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -73.33 -32.76 64.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' ASN . 18.8 mm-40 -69.98 -21.74 63.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 9.2 pt -106.56 130.98 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.153 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -65.21 100.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.69 -38.21 90.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.0 83.98 6.54 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.648 0.737 . . . . 0.0 110.847 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 2.18 3.81 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 39.59 34.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.8 mmt 58.65 49.79 9.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.1 m -118.44 134.98 54.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.499 ' HG3' ' CE2' ' A' ' 107' ' ' PHE . 51.5 tt0 -62.58 -63.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' GLN . 4.3 t80 -35.82 -48.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.7 mt -72.32 -57.54 4.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 10.4 t -44.1 -59.27 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 mt -46.68 -59.42 3.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 83' ' ' ARG . 1.2 tmmm? -50.18 -56.0 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 80' ' ' LYS . 62.9 m-20 -36.96 -50.49 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.5 mt -60.84 -37.78 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 80' ' ' LYS . 10.1 mmt85 -48.29 -62.76 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 m -39.6 -60.67 0.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -44.81 -51.29 9.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.7 mt -61.99 -29.01 69.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.525 HG22 ' HG3' ' A' ' 91' ' ' GLU . 27.0 m -74.75 -44.09 51.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.64 -21.13 66.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.4 m -68.44 -16.61 63.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 37.4 t -121.08 -18.36 7.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.525 ' HG3' HG22 ' A' ' 87' ' ' THR . 7.5 mm-40 -95.02 -43.8 7.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.442 HG21 ' HB3' ' A' ' 61' ' ' SER . 86.1 m -84.35 -44.71 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.475 ' CE2' HD11 ' A' ' 122' ' ' LEU . 35.3 m-85 -97.93 -61.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.03 64.22 0.81 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.546 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.403 ' SD ' ' CD ' ' A' ' 99' ' ' GLU . 10.1 ptp -110.44 -177.67 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.836 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -69.1 96.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -47.76 -19.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.8 m -77.84 -37.38 48.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.425 ' OE2' ' CD ' ' A' ' 121' ' ' ARG . 4.7 pt-20 -62.84 -30.43 71.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.403 ' CD2' ' SD ' ' A' ' 95' ' ' MET . 25.8 mt -52.4 166.38 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.857 ' CE2' HG13 ' A' ' 115' ' ' VAL . 41.5 p90 -99.5 166.69 11.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -81.5 131.7 35.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -45.92 -36.82 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 10.7 t80 -72.32 -51.55 20.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 105' ' ' ASP . 0.6 OUTLIER -38.23 -43.26 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.2 tp -79.1 -51.13 9.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.499 ' CE2' ' HG3' ' A' ' 75' ' ' GLN . 10.8 t80 -47.83 -59.02 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -82.1 -12.24 58.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.9 t 67.21 38.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -59.85 -62.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -132.22 91.49 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -62.23 -36.6 82.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.11 -36.27 7.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -67.61 -37.46 82.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.857 HG13 ' CE2' ' A' ' 101' ' ' PHE . 21.7 t -69.95 -38.47 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 41.6 mt -63.13 -48.6 86.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -50.99 -47.77 61.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.5 m -43.86 -44.52 6.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.1 mt -70.66 -44.28 67.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.525 ' HA ' ' CG ' ' A' ' 136' ' ' PHE . 1.8 m -45.18 -29.91 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.425 ' CD ' ' OE2' ' A' ' 99' ' ' GLU . 45.0 mtt180 -92.43 -52.32 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 125' ' ' THR . 34.6 tp -37.05 -41.78 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.563 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 59.6 p -54.48 -47.99 72.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.42 ' NH2' ' HB2' ' A' ' 138' ' ' SER . 24.4 mmt-85 -39.7 -31.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 122' ' ' LEU . 58.7 p -51.58 151.1 6.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 0.0 111.108 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.49 ' O ' ' HB2' ' A' ' 130' ' ' ALA . 53.4 Cg_endo -69.82 -5.37 16.09 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.313 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.414 HG21 ' HB2' ' A' ' 58' ' ' ARG . 4.6 mp -88.99 -33.04 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -82.22 -47.65 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.83 -35.17 80.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 126' ' ' PRO . . . -48.63 -51.18 29.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 31.8 p -56.81 -37.64 71.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.47 19.57 20.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.724 HG23 ' HB3' ' A' ' 20' ' ' HIS . 60.7 mt -75.27 137.7 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.428 ' HA ' ' HD2' ' A' ' 135' ' ' PRO . 94.3 mtt180 -36.54 98.81 0.16 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.632 0.73 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 53.7 Cg_endo -69.74 141.96 46.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.296 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.525 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 23.7 m-85 -52.43 146.16 17.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.671 0.748 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 2.65 3.32 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.361 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.42 ' HB2' ' NH2' ' A' ' 124' ' ' ARG . 30.5 m -38.29 138.33 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 169.77 -172.13 43.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 127.94 15.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 50.5 m -114.41 142.39 46.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.8 t 47.17 45.4 16.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -102.41 171.24 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.885 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.6 m -84.81 168.75 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.54 -108.99 1.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -102.87 133.02 48.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 0.0 110.883 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.7 p -165.69 154.76 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.55 -109.14 0.2 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ttt -119.74 128.1 53.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.701 0.286 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -80.86 160.9 65.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -39.59 6.23 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.306 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.602 ' CD1' HG13 ' A' ' 37' ' ' VAL . 16.6 p-90 -60.33 -31.58 70.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -52.7 -68.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -56.6 -41.06 76.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.8 t -45.6 -43.14 11.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.595 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -46.28 -43.89 16.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -55.33 -63.28 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.541 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 43.5 t90 -40.06 -45.03 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.704 ' O ' HG22 ' A' ' 23' ' ' VAL . 20.6 mt -58.47 -52.55 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.8 mt -53.26 -39.56 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -73.91 -38.28 64.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.541 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 58.1 m -65.63 -5.86 9.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt 72.47 51.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 18' ' ' LEU . 5.3 m -127.63 -31.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.012 HD22 ' CE1' ' A' ' 28' ' ' HIS . 69.4 mt -128.44 148.79 69.54 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.604 0.716 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.546 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.81 156.54 62.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.24 . . . . 0.0 112.349 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.5 p -66.48 -27.97 68.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -105.89 18.72 21.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 1.012 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.8 t-80 -45.67 170.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -77.4 -47.23 20.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.5 m -50.82 -31.54 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.48 HG23 ' HB3' ' A' ' 28' ' ' HIS . 38.9 p -55.72 -44.69 77.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -50.43 145.73 6.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -65.75 -27.55 68.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 m -64.17 -35.82 82.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.88 159.38 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' VAL . 65.3 mt-30 -142.58 166.06 25.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.602 HG13 ' CD1' ' A' ' 11' ' ' TRP . 4.7 m -35.93 -40.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -57.47 -64.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -39.72 -56.44 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.4 tp -66.57 -22.67 66.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -80.54 -25.16 38.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -77.23 -53.45 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.578 HG23 ' HG ' ' A' ' 44' ' ' LEU . 14.2 t -46.5 -21.32 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.578 ' HG ' HG23 ' A' ' 43' ' ' THR . 12.9 mt -110.08 -27.67 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.971 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' LEU . 19.0 ttt180 -37.29 -44.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.45 -44.23 84.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 96.35 13.86 46.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.479 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.7 t -87.35 -33.42 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 111.184 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.501 HD23 ' CD2' ' A' ' 44' ' ' LEU . 13.9 tp -77.28 -53.79 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.3 mt -35.96 -56.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.696 ' HA ' HD12 ' A' ' 62' ' ' ILE . 67.3 m -50.22 -41.9 50.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' LEU . 12.1 mt-30 -60.17 -53.19 60.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' GLN . 30.1 tp -36.17 -59.74 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.728 HD12 HD11 ' A' ' 62' ' ' ILE . 50.1 mt -58.3 -36.95 74.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' GLN . 90.0 m-20 -65.85 -24.53 66.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -78.53 -44.47 24.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.8 mt -68.39 -52.91 27.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.586 ' HB2' HG21 ' A' ' 127' ' ' ILE . 25.4 ttt-85 -117.66 159.3 23.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.31 143.47 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 62.33 31.43 17.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.443 ' HB3' HG21 ' A' ' 92' ' ' THR . 1.5 m -75.19 -46.62 32.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.728 HD11 HD12 ' A' ' 54' ' ' LEU . 42.5 mt -143.09 121.3 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -70.21 107.84 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.465 HD23 HD11 ' A' ' 67' ' ' ILE . 84.7 mt -49.81 -29.18 7.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -71.38 -33.49 69.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -70.37 -21.73 62.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.472 HG21 ' SG ' ' A' ' 51' ' ' CYS . 19.0 pt -106.62 142.07 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.434 ' ND2' HD22 ' A' ' 77' ' ' LEU . 54.1 m-80 -74.81 89.95 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 mt -52.64 -29.47 26.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -122.38 80.95 45.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.583 0.706 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -15.82 37.46 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.751 2.301 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 47.04 41.2 10.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 29.9 mmt 57.28 49.04 13.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.6 m -104.01 113.87 27.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -51.13 -44.06 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -60.9 -60.57 3.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.434 HD22 ' ND2' ' A' ' 68' ' ' ASN . 71.6 mt -56.9 -62.46 1.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 77' ' ' LEU . 82.7 m -37.18 -59.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.7 mt -52.12 -43.24 63.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -51.32 69.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -50.4 -62.53 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.7 mt -37.76 -56.65 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -46.43 -48.08 18.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.6 m -47.91 -41.13 23.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -66.31 -53.99 30.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 30.8 mt -55.07 -30.74 60.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.518 HG22 ' HG3' ' A' ' 91' ' ' GLU . 20.2 m -73.36 -45.83 52.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.98 -18.3 59.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.4 m -69.74 -24.01 63.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 56.1 m -110.59 -17.63 13.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.518 ' HG3' HG22 ' A' ' 87' ' ' THR . 6.4 mm-40 -92.3 -50.31 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.443 HG21 ' HB3' ' A' ' 61' ' ' SER . 90.6 m -77.28 -55.43 5.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.598 ' CE2' HD11 ' A' ' 122' ' ' LEU . 13.2 m-85 -86.94 -58.39 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.3 65.52 0.9 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.1 ptp -111.75 -176.33 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -71.09 129.85 40.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -86.01 29.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.0 m -119.34 -28.88 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.732 ' OE2' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -80.27 -23.99 40.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.732 HD23 ' OE2' ' A' ' 99' ' ' GLU . 58.0 mt -51.76 161.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.703 ' CE2' HG13 ' A' ' 115' ' ' VAL . 36.8 p90 -98.91 164.72 12.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -83.58 122.17 28.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -38.82 -40.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -64.59 -50.17 68.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -43.83 -36.35 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.417 HD13 HG21 ' A' ' 115' ' ' VAL . 24.7 tp -80.23 -57.8 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -45.68 -66.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.61 -4.11 14.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.2 t 56.67 33.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -54.72 -74.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -122.23 89.51 3.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -58.34 -38.63 77.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.66 -31.5 5.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -66.85 -36.97 83.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.703 HG13 ' CE2' ' A' ' 101' ' ' PHE . 21.3 t -73.1 -37.0 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 26.9 mt -62.35 -46.71 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -53.29 -51.65 61.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.3 m -40.29 -47.94 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.58 -40.14 95.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.461 ' HA ' ' CG ' ' A' ' 136' ' ' PHE . 45.7 t -52.63 -36.24 56.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.1 mtp85 -82.07 -47.68 12.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.598 HD11 ' CE2' ' A' ' 93' ' ' PHE . 16.1 tp -48.72 -46.99 41.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 72.0 p -46.22 -24.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -68.0 -41.96 81.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 58.5 p -39.05 149.55 0.24 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 2.0 3.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -96.69 -39.52 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.39 -40.74 50.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.403 ' CD2' ' HB3' ' A' ' 135' ' ' PRO . 73.8 mt -69.96 -36.36 75.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.77 -49.87 10.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.0 p -57.01 -34.43 68.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.9 23.56 25.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.474 ' O ' ' C ' ' A' ' 134' ' ' ARG . 57.1 mt -79.84 135.92 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.146 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 133' ' ' ILE . 47.5 mtp85 -32.23 95.71 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.634 0.73 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.2 Cg_endo -69.83 143.18 49.71 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.672 2.248 . . . . 0.0 112.299 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.461 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 23.4 m-85 -50.97 155.07 2.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.647 0.737 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 110.32 2.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.311 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 49.9 m -79.23 -41.34 28.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 125.89 158.62 10.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -27.22 26.82 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.6 t -61.28 135.11 57.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 60.0 p -130.92 122.4 26.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -132.19 -46.75 0.92 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 m -156.83 125.65 5.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.72 142.61 32.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -116.14 -51.22 2.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.838 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p 40.06 41.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.01 140.43 2.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 tpp -42.73 121.56 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -61.32 157.83 41.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -15.92 37.24 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.64 2.227 . . . . 0.0 112.332 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.774 ' CD1' HG13 ' A' ' 37' ' ' VAL . 6.5 p-90 -83.73 -33.77 25.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -52.19 -46.02 65.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -75.18 -41.66 57.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.6 t -47.87 -46.81 31.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.95 -43.75 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' TRP . 9.9 mm-40 -57.4 -66.73 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.547 ' CH2' HD21 ' A' ' 53' ' ' LEU . 30.1 t90 -35.79 -49.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.83 ' O ' HG22 ' A' ' 23' ' ' VAL . 26.5 mt -54.68 -53.77 50.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.425 HD11 ' CG2' ' A' ' 31' ' ' THR . 69.9 mt -53.32 -42.04 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.656 ' HB3' HG23 ' A' ' 133' ' ' ILE . 51.6 m-70 -73.19 -31.97 64.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.542 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 56.0 m -72.85 2.04 7.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm 65.41 45.89 2.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 18' ' ' LEU . 16.6 m -122.4 -25.48 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.046 HD22 ' CE1' ' A' ' 28' ' ' HIS . 86.6 mt -134.74 148.88 69.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 54.0 Cg_endo -69.73 166.91 25.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.331 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.9 p -74.46 -30.87 62.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -106.73 26.24 10.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 1.046 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.1 t-160 -50.8 -176.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.79 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -93.26 -18.55 22.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.4 -32.6 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.425 ' CG2' HD11 ' A' ' 19' ' ' ILE . 69.3 p -66.28 -37.38 85.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -51.95 134.77 31.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -51.63 -38.13 53.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -58.58 -43.28 89.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.79 ' HB2' ' O ' ' A' ' 29' ' ' ARG . . . -43.76 162.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 37' ' ' VAL . 86.0 mt-30 -151.94 161.35 42.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.774 HG13 ' CD1' ' A' ' 11' ' ' TRP . 1.7 m -33.57 -49.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.42 ' CE1' HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -49.08 -59.0 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -42.3 -59.56 1.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.6 tp -62.42 -25.13 67.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.53 -20.67 43.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.079 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -81.58 -53.63 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.3 t -50.21 -25.08 3.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' ARG . 36.2 mt -101.61 -31.73 10.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 44' ' ' LEU . 16.5 ttt180 -37.25 -45.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -54.03 -50.19 67.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.91 26.81 7.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.45 HG13 ' HA ' ' A' ' 69' ' ' LEU . 97.5 t -102.12 -35.93 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 52' ' ' GLN . 45.5 tp -82.35 -49.72 9.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -37.43 -52.83 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.628 ' SG ' HD13 ' A' ' 62' ' ' ILE . 6.5 m -55.37 -42.55 74.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' LEU . 32.8 mt-30 -53.9 -50.46 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.547 HD21 ' CH2' ' A' ' 17' ' ' TRP . 43.6 tp -36.16 -65.55 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.605 HD12 HD11 ' A' ' 62' ' ' ILE . 45.4 mt -52.12 -45.93 65.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -56.13 -30.57 62.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -75.45 -43.65 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.2 mt -68.62 -55.74 10.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.601 ' HB2' HG21 ' A' ' 127' ' ' ILE . 9.1 ttt85 -115.45 157.55 23.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.0 145.24 24.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 61.95 33.64 17.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.5 m -78.37 -44.57 24.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.628 HD13 ' SG ' ' A' ' 51' ' ' CYS . 61.1 mt -147.85 144.57 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.156 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 63' ' ' ASN . 17.6 t-20 -95.45 110.9 22.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.627 HD23 HD11 ' A' ' 67' ' ' ILE . 95.0 mt -48.67 -43.91 37.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' HE3' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -54.67 -39.94 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' HG3' ' ND2' ' A' ' 63' ' ' ASN . 17.4 mt-10 -65.59 -24.57 67.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.627 HD11 HD23 ' A' ' 64' ' ' LEU . 15.0 pt -106.11 134.94 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -73.01 86.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.45 ' HA ' HG13 ' A' ' 48' ' ' VAL . 14.4 mt -45.05 -37.56 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.3 ttm-85 -119.57 83.18 27.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -19.79 35.81 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 60.1 39.44 19.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.8 mmt 60.38 41.81 15.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.548 ' HB2' HD12 ' A' ' 77' ' ' LEU . 2.9 m -96.55 120.35 36.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 107' ' ' PHE . 38.0 tt0 -57.8 -40.5 80.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -66.02 -58.6 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.548 HD12 ' HB2' ' A' ' 74' ' ' SER . 47.3 mt -55.92 -47.94 76.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 58.0 m -55.19 -62.64 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.0 mt -46.81 -45.71 20.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -53.55 55.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -46.74 -58.32 3.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.7 mt -43.9 -50.33 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mtp-105 -51.9 -44.43 63.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.1 m -51.67 -50.19 60.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -58.81 -66.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.616 HD21 ' CE1' ' A' ' 101' ' ' PHE . 30.1 mt -38.05 -37.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.717 HG22 ' HG3' ' A' ' 91' ' ' GLU . 85.5 m -63.4 -54.26 39.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.02 -42.03 60.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 69.7 m -48.47 -21.77 0.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 9.6 t -113.32 -27.08 8.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.717 ' HG3' HG22 ' A' ' 87' ' ' THR . 13.4 mt-10 -83.18 -54.18 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.8 m -72.63 -48.19 41.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.433 ' CD2' HD13 ' A' ' 127' ' ' ILE . 19.0 m-85 -94.56 -69.28 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.92 56.15 0.59 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 12.1 ptm -104.46 172.76 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.722 0.296 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -65.05 116.76 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -58.48 -43.65 89.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.8 p -48.24 -34.68 10.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -66.56 -42.84 86.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.7 mt -47.96 168.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CE2' HG13 ' A' ' 115' ' ' VAL . 37.4 p90 -97.01 176.83 5.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -92.84 142.7 27.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.82 -56.75 10.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 105' ' ' ASP . 7.6 t80 -59.1 -54.02 51.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -34.68 -43.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.57 HD13 HG21 ' A' ' 115' ' ' VAL . 33.5 tp -80.99 -44.26 18.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.526 ' CZ ' ' HG3' ' A' ' 75' ' ' GLN . 20.5 t80 -54.28 -56.3 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.77 18.66 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 109' ' ' VAL . 9.0 t 39.11 36.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -56.45 -65.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -131.27 89.02 2.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -61.95 -39.37 91.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.88 -37.29 4.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -64.02 -37.21 86.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.623 HG13 ' CE2' ' A' ' 101' ' ' PHE . 37.3 t -71.2 -40.43 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.6 -48.58 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -52.1 -49.69 63.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 93.9 m -41.14 -50.22 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.9 mt -60.64 -44.15 96.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.519 ' HA ' ' CD1' ' A' ' 136' ' ' PHE . 11.0 t -49.96 -42.07 47.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -78.22 -40.87 36.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.2 tp -57.83 -34.28 69.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 27.8 p -59.56 -29.7 68.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 124' ' ' ARG . 5.4 mmm180 -60.16 -40.23 89.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 82.5 p -38.42 149.61 0.21 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.564 0.697 . . . . 0.0 111.153 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.414 ' O ' ' HB2' ' A' ' 130' ' ' ALA . 54.0 Cg_endo -69.77 1.62 4.28 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.633 2.222 . . . . 0.0 112.352 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.601 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.0 mp -97.31 -42.23 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -68.47 -39.77 81.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 49.7 mt -75.56 -36.25 60.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 126' ' ' PRO . . . -46.29 -43.88 16.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 35.7 p -63.85 -37.29 86.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.6 27.22 11.84 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.656 HG23 ' HB3' ' A' ' 20' ' ' HIS . 66.0 mt -85.38 142.14 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 133' ' ' ILE . 67.0 mtp180 -34.02 97.07 0.11 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.4 Cg_endo -69.79 156.05 64.25 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.639 2.226 . . . . 0.0 112.324 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 120' ' ' SER . 16.7 m-85 -67.22 154.11 93.39 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.703 0.763 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 143.97 52.49 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.721 2.281 . . . . 0.0 112.302 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 79.7 p -82.05 -53.12 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 98.55 156.06 29.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.09 13.35 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.3 t -87.62 150.18 23.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 41.0 t -95.84 136.56 36.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 3' ' ' SER . 57.4 p -89.02 157.79 18.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.889 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 2' ' ' SER . 31.8 t -34.7 -59.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.52 58.66 1.7 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 t -139.78 108.98 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.351 . . . . 0.0 110.837 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p -144.8 143.78 30.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.44 -114.54 4.85 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.2 ttt -144.52 113.47 6.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.96 156.54 36.03 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -11.43 30.84 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.724 2.282 . . . . 0.0 112.346 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.733 ' CD1' HG13 ' A' ' 37' ' ' VAL . 6.8 p-90 -87.15 -37.97 16.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -48.97 -49.65 39.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -71.31 -43.61 66.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.8 t -43.87 -50.37 7.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -38.6 -44.14 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -56.58 -66.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.549 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 25.3 t90 -39.02 -44.94 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.829 ' O ' HG22 ' A' ' 23' ' ' VAL . 51.9 mt -57.5 -53.82 53.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.1 mt -53.57 -40.77 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -74.17 -32.6 63.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.549 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 87.9 m -71.11 -0.54 9.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp 67.82 49.29 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.829 HG22 ' O ' ' A' ' 18' ' ' LEU . 27.8 m -125.13 -27.04 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.948 HD22 ' CE1' ' A' ' 28' ' ' HIS . 91.2 mt -133.77 151.94 77.9 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.493 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.6 Cg_endo -69.8 163.8 36.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.4 p -71.62 -29.7 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -105.56 21.71 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.948 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.3 t-160 -48.24 170.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.786 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -77.41 -43.72 31.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 m -51.26 -31.08 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 p -63.04 -42.39 99.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 14.3 m95 -49.57 128.38 17.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -48.97 -39.09 25.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.807 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 m -56.31 -40.39 74.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.422 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -46.5 163.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.422 ' HG3' ' C ' ' A' ' 35' ' ' ALA . 34.6 mt-30 -149.42 165.65 31.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.733 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.5 m -36.08 -51.26 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.444 ' H ' HG23 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -46.84 -60.01 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.2 -59.98 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.4 tp -63.37 -27.4 69.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.56 -21.41 57.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -81.68 -55.72 4.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.546 HG23 ' HG ' ' A' ' 44' ' ' LEU . 14.2 t -48.41 -22.92 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.589 ' CD2' HD23 ' A' ' 49' ' ' LEU . 21.3 mt -104.14 -29.74 10.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -40.01 -41.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -57.26 -47.01 82.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.23 20.15 26.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.777 HG13 HD23 ' A' ' 69' ' ' LEU . 86.1 t -97.76 -31.22 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 111.095 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.589 HD23 ' CD2' ' A' ' 44' ' ' LEU . 53.4 tp -80.04 -45.52 18.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -40.27 -57.48 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.781 ' SG ' HG21 ' A' ' 67' ' ' ILE . 67.9 m -50.12 -42.85 51.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -56.32 -46.21 79.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.0 tp -42.76 -64.18 0.66 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.552 HD22 ' CE1' ' A' ' 93' ' ' PHE . 81.8 mt -55.71 -44.01 77.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 60.1 m-20 -60.53 -24.07 65.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -80.7 -45.11 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.1 mt -68.95 -51.4 40.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.404 ' HB2' HG21 ' A' ' 127' ' ' ILE . 12.4 ttt85 -116.9 157.77 25.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.18 140.03 30.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.6 m170 64.84 33.8 9.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -76.8 -45.88 27.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 51' ' ' CYS . 68.5 mt -147.92 135.76 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 65' ' ' LYS . 22.8 t-20 -82.24 118.6 23.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.485 HD23 HD11 ' A' ' 67' ' ' ILE . 88.7 mt -55.14 -44.96 75.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -56.62 -35.16 67.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.85 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.95 -27.11 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.781 HG21 ' SG ' ' A' ' 51' ' ' CYS . 21.5 pt -101.46 130.05 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -67.45 117.43 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.777 HD23 HG13 ' A' ' 48' ' ' VAL . 19.7 mt -94.4 133.97 37.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.438 ' N ' ' CD ' ' A' ' 71' ' ' PRO . 17.5 ttt180 72.68 54.81 0.32 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 70' ' ' ARG . 53.7 Cg_endo -69.79 2.88 3.15 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.31 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 48.03 33.9 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.9 mmt 63.06 50.0 3.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.9 t -83.88 -177.84 6.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 43.0 tt0 -107.33 -48.91 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -71.59 -47.27 55.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.84 -51.59 68.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 93.4 m -57.98 -61.43 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.9 mt -45.84 -46.29 15.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.52 -57.17 11.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -44.0 -61.68 1.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.716 HD13 HD23 ' A' ' 106' ' ' LEU . 87.9 mt -38.93 -55.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -47.01 -46.59 21.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.1 m -48.14 -41.44 26.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -66.26 -62.4 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.0 mt -45.62 -30.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.558 HG22 ' HG3' ' A' ' 91' ' ' GLU . 21.9 m -65.81 -56.08 13.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -55.02 -35.69 64.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.58 -21.56 17.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 44.8 t -112.4 -28.73 7.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.558 ' HG3' HG22 ' A' ' 87' ' ' THR . 8.8 mm-40 -89.18 -54.0 4.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 88' ' ' ALA . 71.3 m -68.68 -58.15 4.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.552 ' CE1' HD22 ' A' ' 54' ' ' LEU . 6.6 m-85 -88.71 -66.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.59 60.51 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.513 ' SD ' HD21 ' A' ' 100' ' ' LEU . 25.2 ptm -104.68 165.78 10.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 96' ' ' ARG . 0.5 OUTLIER -56.91 101.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -50.21 -31.04 12.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.2 t -61.61 -31.17 71.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.435 ' CD ' ' HB2' ' A' ' 96' ' ' ARG . 45.5 mt-10 -71.39 -41.31 69.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.513 HD21 ' SD ' ' A' ' 95' ' ' MET . 57.9 mt -45.89 165.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.641 ' CE2' HG13 ' A' ' 115' ' ' VAL . 54.0 p90 -98.13 -176.89 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -101.69 132.02 47.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -47.32 -43.92 23.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 105' ' ' ASP . 13.4 t80 -59.98 -62.4 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 104' ' ' PHE . 43.2 m-20 -34.75 -43.04 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.716 HD23 HD13 ' A' ' 82' ' ' ILE . 25.5 tp -70.87 -60.18 2.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 23.1 t80 -48.99 -58.57 4.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -77.56 4.16 11.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 109' ' ' VAL . 13.7 t 41.29 50.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.075 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 110' ' ' ARG . 9.7 mtp-105 -77.5 -60.82 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.44 86.57 2.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -64.52 -40.21 95.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.83 -32.95 2.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -68.1 -37.73 81.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.641 HG13 ' CE2' ' A' ' 101' ' ' PHE . 42.3 t -68.98 -39.41 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 mt -59.39 -49.95 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -52.55 -47.58 66.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 96.8 m -42.78 -41.4 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.8 mt -73.29 -41.29 63.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.52 ' HA ' ' CG ' ' A' ' 136' ' ' PHE . 65.8 m -49.33 -38.75 29.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 37.7 mtt85 -81.85 -46.61 13.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.6 tp -45.29 -45.12 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.452 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 95.7 p -46.15 -34.65 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -52.28 -41.56 62.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 72.9 p -39.43 148.17 0.29 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -0.51 7.01 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.404 HG21 ' HB2' ' A' ' 58' ' ' ARG . 4.9 mp -94.67 -40.74 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -69.89 -42.32 73.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.41 ' CD2' ' HB3' ' A' ' 135' ' ' PRO . 52.1 mt -70.67 -38.26 73.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.2 -45.1 5.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 38.4 p -61.66 -37.51 84.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.61 26.15 12.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' A' ' 134' ' ' ARG . 56.3 mt -85.17 138.11 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 111.121 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 133' ' ' ILE . 65.5 mtp85 -32.77 96.13 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.5 Cg_endo -69.81 142.83 48.77 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.25 . . . . 0.0 112.341 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.52 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 35.5 m-85 -53.45 150.7 11.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.605 0.717 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 119.59 6.51 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.679 2.252 . . . . 0.0 112.363 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 18.5 m -72.64 179.85 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -109.47 164.61 12.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.538 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -45.48 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.5 t -100.04 145.23 28.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.8 m -106.09 -47.0 3.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -141.64 118.65 11.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.943 0.401 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 m -51.25 141.86 14.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.23 -122.48 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.45 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 t -38.52 152.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 0.0 110.803 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 7' ' ' GLY . 2.8 m -113.34 -48.81 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.7 -133.86 0.61 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.46 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ttt -123.6 109.16 13.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -57.24 152.11 32.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.72 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -13.12 34.3 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.715 2.277 . . . . 0.0 112.356 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.634 ' CD1' HG13 ' A' ' 37' ' ' VAL . 7.5 p-90 -94.17 -29.16 15.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 17.8 mmtt -57.2 -42.53 81.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -80.31 -37.04 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.1 t -51.98 -48.42 64.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -39.81 -44.99 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -54.28 -63.59 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.543 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 16.7 t90 -42.57 -43.71 3.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.884 ' O ' HG22 ' A' ' 23' ' ' VAL . 95.6 mt -59.89 -52.42 65.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.6 mt -56.96 -37.89 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.682 ' HB3' HG23 ' A' ' 133' ' ' ILE . 20.2 m-70 -80.22 -24.54 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 57.4 m -79.69 11.38 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? 56.97 46.85 18.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.884 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.9 m -125.29 -26.96 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.034 HD22 ' CE1' ' A' ' 28' ' ' HIS . 89.0 mt -136.56 148.95 65.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.548 0.69 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.459 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.78 160.76 48.51 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.725 2.283 . . . . 0.0 112.348 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.6 p -70.34 -26.76 63.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -107.8 20.19 19.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 1.034 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.4 t-160 -46.49 170.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 10.8 ptp180 -78.01 -23.52 48.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 m -76.92 -12.9 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -80.74 -23.58 39.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -69.96 139.48 52.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.62 -31.93 62.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.5 t -64.15 -32.11 73.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.824 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 29' ' ' ARG . . . -62.75 159.57 16.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.423 ' HG3' ' C ' ' A' ' 35' ' ' ALA . 58.1 mt-30 -148.61 173.12 13.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.634 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.7 m -36.18 -47.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -50.3 -62.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -40.18 -58.11 1.55 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.718 HD11 ' CD1' ' A' ' 18' ' ' LEU . 56.5 tp -67.82 -20.95 65.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -85.65 -11.53 53.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -87.74 -55.7 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.726 HG23 HD23 ' A' ' 44' ' ' LEU . 5.9 t -47.08 -23.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.726 HD23 HG23 ' A' ' 43' ' ' THR . 10.7 mt -99.52 -32.04 11.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -38.36 -42.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -61.4 -46.91 88.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.8 24.85 11.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.4 t -100.41 -29.86 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.843 0.354 . . . . 0.0 111.094 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' GLN . 38.7 tp -85.08 -54.13 4.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 49' ' ' LEU . 10.5 mt -35.17 -56.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.6 m -50.62 -44.19 57.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.0 mt-30 -53.87 -48.77 69.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.5 tp -40.62 -63.03 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.669 HD12 HD11 ' A' ' 62' ' ' ILE . 36.8 mt -54.09 -39.35 66.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -66.25 -24.89 66.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -79.5 -43.91 22.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.429 ' HB3' HG22 ' A' ' 127' ' ' ILE . 29.3 mt -69.79 -56.09 8.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.5 ' HB2' HG21 ' A' ' 127' ' ' ILE . 8.1 ttt85 -114.07 151.86 31.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.69 145.18 26.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 60.73 34.09 20.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 m -77.58 -45.99 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.669 HD11 HD12 ' A' ' 54' ' ' LEU . 59.6 mt -146.52 130.06 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -77.85 109.55 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.529 HD23 HD11 ' A' ' 67' ' ' ILE . 97.3 mt -49.85 -37.91 32.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 11.2 mptt -62.43 -37.56 86.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -65.17 -27.94 69.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.529 HD11 HD23 ' A' ' 64' ' ' LEU . 22.9 pt -101.24 138.07 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -71.2 89.1 0.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.85 -25.23 10.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.78 82.06 64.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -15.64 36.85 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.29 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 49.82 40.13 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.952 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.5 mmt 58.0 51.31 9.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 m -108.47 122.1 46.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -55.87 -42.03 75.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -63.61 -63.57 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.6 mt -54.79 -54.71 38.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 64.4 m -48.43 -55.49 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.3 mt -54.43 -45.68 73.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -57.36 -59.55 4.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.809 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' LYS . 30.0 m-20 -37.15 -59.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.5 mt -45.12 -50.44 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -55.08 -47.68 74.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 39.4 m -50.77 -37.2 40.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.464 ' CD2' ' N ' ' A' ' 86' ' ' LEU . 1.8 t80 -74.81 -60.08 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 85' ' ' PHE . 19.8 mt -42.44 -37.17 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.778 HG22 ' HG3' ' A' ' 91' ' ' GLU . 24.2 m -68.44 -50.85 49.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.087 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.98 -35.12 58.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.0 m -55.24 -14.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 91' ' ' GLU . 0.8 OUTLIER -119.07 -40.7 2.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.778 ' HG3' HG22 ' A' ' 87' ' ' THR . 12.2 mt-10 -72.04 -42.47 66.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 93.7 m -84.75 -48.88 8.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -94.01 -66.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.87 59.25 0.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 25.9 mtp -108.9 163.72 13.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.771 0.32 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.3 mmp_? -58.52 101.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.432 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 12.4 mtmm -44.15 -24.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 94.1 p -65.85 -43.25 89.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -59.4 -30.34 68.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.432 ' CD1' ' HA ' ' A' ' 97' ' ' LYS . 34.1 mt -55.97 166.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.412 ' CE1' HG13 ' A' ' 115' ' ' VAL . 28.1 p90 -103.89 164.02 11.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.456 ' N ' ' OD2' ' A' ' 105' ' ' ASP . 11.6 tt0 -70.35 153.09 43.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.6 -21.33 60.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 21.0 t80 -90.3 -51.25 5.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.456 ' OD2' ' N ' ' A' ' 102' ' ' GLU . 0.6 OUTLIER -38.15 -39.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.453 HD13 HG11 ' A' ' 115' ' ' VAL . 18.0 tp -77.82 -49.38 14.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -53.78 -58.35 7.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -79.25 2.89 19.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.1 t 50.33 35.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -56.44 -67.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -130.53 92.45 3.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 116' ' ' ILE . 13.9 t80 -62.13 -33.41 74.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -47.53 -36.15 11.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -68.1 -35.37 78.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.453 HG11 HD13 ' A' ' 106' ' ' LEU . 11.1 t -72.31 -36.67 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 112' ' ' PHE . 57.6 mt -65.64 -53.59 37.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -45.71 -50.69 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.5 m -44.96 -46.08 10.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.15 -36.72 82.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.529 ' HA ' ' CD2' ' A' ' 136' ' ' PHE . 3.9 p -54.07 -40.32 67.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -80.92 -48.95 11.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.539 ' O ' HG23 ' A' ' 125' ' ' THR . 9.7 tp -40.07 -51.34 2.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.586 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 94.5 p -42.7 -41.45 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -45.06 -41.15 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 122' ' ' LEU . 77.6 p -40.08 147.33 0.36 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.545 0.688 . . . . 0.0 111.129 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -0.55 7.02 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.71 2.274 . . . . 0.0 112.346 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.5 HG21 ' HB2' ' A' ' 58' ' ' ARG . 4.7 mp -94.99 -35.75 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -74.2 -44.84 51.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 42.7 mt -69.36 -39.1 78.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.52 -49.23 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.0 p -57.24 -36.67 71.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.74 22.34 21.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.682 HG23 ' HB3' ' A' ' 20' ' ' HIS . 55.7 mt -81.91 143.73 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 135' ' ' PRO . 22.8 mmm180 -41.14 101.75 0.25 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 134' ' ' ARG . 53.7 Cg_endo -69.75 168.66 20.91 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.354 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.529 ' CD2' ' HA ' ' A' ' 120' ' ' SER . 27.3 m-85 -74.22 146.99 85.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.655 0.74 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 82.63 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 44.3 t -157.45 121.19 4.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -118.44 168.38 13.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -3.83 12.82 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 69.4 m -79.82 116.57 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.839 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.5 t -131.16 -50.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.4 m -96.38 132.01 42.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -78.0 -47.01 19.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.69 -78.4 0.88 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -135.0 102.8 5.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.887 0.375 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -118.33 122.07 41.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.47 -68.99 0.1 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.0 tpp -130.28 122.71 28.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.741 0.305 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.86 160.52 68.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -16.94 38.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.772 ' CD1' HG13 ' A' ' 37' ' ' VAL . 5.9 p-90 -82.21 -36.61 27.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -52.47 -49.39 64.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -69.68 -43.47 72.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.3 t -47.71 -39.88 18.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -47.8 -46.12 30.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -55.33 -64.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.54 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 36.2 t90 -39.27 -44.03 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.899 ' O ' HG22 ' A' ' 23' ' ' VAL . 27.4 mt -58.38 -48.92 79.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.402 HG21 ' HA ' ' A' ' 26' ' ' THR . 66.7 mt -57.27 -43.82 82.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.571 ' HB3' HG23 ' A' ' 133' ' ' ILE . 22.6 m-70 -71.22 -31.43 67.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.54 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 56.2 m -69.6 -1.84 9.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.1 mmtt 68.9 49.26 0.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.899 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.0 m -127.24 -29.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.844 HD22 ' CE1' ' A' ' 28' ' ' HIS . 82.5 mt -131.31 150.92 77.82 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.475 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.77 147.13 62.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.402 ' HA ' HG21 ' A' ' 19' ' ' ILE . 62.0 p -59.57 -25.58 64.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -110.22 25.45 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.844 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.9 t-160 -52.31 -179.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -84.0 -40.37 18.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.416 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . 16.3 m -55.05 -26.33 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.7 p -68.05 -30.53 69.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -63.26 125.3 23.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -42.7 -35.26 1.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.4 t -60.18 -40.31 89.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' CB ' ' HA ' ' A' ' 30' ' ' VAL . . . -45.99 157.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.075 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' VAL . 40.2 mt-30 -144.51 163.41 33.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.772 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.4 m -36.14 -47.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.478 ' CE1' HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -51.7 -60.48 3.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -42.28 -58.74 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 18' ' ' LEU . 39.9 tp -64.39 -20.19 65.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -84.48 -20.68 31.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -81.23 -46.29 15.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.434 HG23 ' HG ' ' A' ' 44' ' ' LEU . 5.8 t -54.87 -20.75 9.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' ARG . 15.1 mt -106.4 -32.26 8.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 44' ' ' LEU . 19.1 ttt180 -35.63 -48.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.89 -53.35 53.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.98 20.49 10.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 69' ' ' LEU . 98.4 t -95.75 -28.93 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 111.149 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.2 tp -85.45 -54.88 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' LEU . 13.0 mt -34.6 -59.4 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.454 ' HA ' HD12 ' A' ' 62' ' ' ILE . 54.8 m -47.23 -41.88 19.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' LEU . 25.1 mt-30 -57.53 -51.53 69.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' GLN . 46.3 tp -35.66 -57.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.679 HD22 ' CE1' ' A' ' 93' ' ' PHE . 74.9 mt -60.43 -43.33 96.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -60.28 -21.92 62.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -81.26 -41.76 21.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.5 mt -73.29 -54.27 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.58 ' HB2' HG21 ' A' ' 127' ' ' ILE . 10.4 ttt85 -116.67 152.78 33.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.14 148.55 25.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.8 m170 57.43 33.38 23.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.6 m -75.17 -41.81 57.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.6 HD11 HD12 ' A' ' 54' ' ' LEU . 57.0 mt -148.98 133.28 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' GLU . 46.3 t-20 -80.84 101.94 9.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.2 mt -42.42 -34.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -66.82 -38.41 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 63' ' ' ASN . 16.6 mt-10 -66.11 -16.89 64.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.582 ' CG2' HG21 ' A' ' 84' ' ' THR . 28.1 pt -114.63 141.35 31.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -75.82 91.87 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.417 ' O ' HG21 ' A' ' 48' ' ' VAL . 38.4 mt -52.83 -35.68 57.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -122.78 82.0 49.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -12.69 33.25 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.331 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 54.12 39.21 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 19.9 mmt 62.07 50.26 4.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -105.87 126.49 52.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.48 ' HG2' HD12 ' A' ' 79' ' ' LEU . 34.0 tt0 -62.92 -38.41 90.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -69.46 -53.4 19.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.0 -45.29 94.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 41.1 m -60.32 -63.61 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.48 HD12 ' HG2' ' A' ' 75' ' ' GLN . 18.4 mt -43.12 -49.51 6.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -51.19 70.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -45.57 -60.59 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 68.3 mt -42.88 -47.97 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.4 ' HA ' HD12 ' A' ' 86' ' ' LEU . 14.2 mtt-85 -59.36 -43.81 92.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.582 HG21 ' CG2' ' A' ' 67' ' ' ILE . 62.2 m -51.87 -38.08 54.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -71.37 -52.32 19.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 83' ' ' ARG . 25.7 mt -51.24 -30.2 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.543 HG22 ' HG3' ' A' ' 91' ' ' GLU . 30.4 m -67.87 -52.35 37.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.42 -34.02 66.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.9 m -61.56 -13.29 20.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.562 ' SG ' HD11 ' A' ' 100' ' ' LEU . 98.5 m -118.65 -23.82 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.543 ' HG3' HG22 ' A' ' 87' ' ' THR . 5.2 mm-40 -93.69 -55.76 3.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.3 m -66.79 -59.89 3.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.679 ' CE1' HD22 ' A' ' 54' ' ' LEU . 38.1 m-85 -85.2 -62.1 1.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.77 66.48 0.67 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 53.7 mtp -106.88 177.81 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.745 0.307 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -77.89 116.32 18.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -57.72 -31.77 66.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.9 m -66.9 -18.21 65.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -87.72 -37.23 16.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.562 HD11 ' SG ' ' A' ' 90' ' ' CYS . 47.2 mt -51.64 158.79 0.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.447 ' CD2' HG22 ' A' ' 115' ' ' VAL . 34.4 p90 -91.59 159.79 15.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -66.07 -178.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -94.63 -38.73 10.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.642 ' CZ ' ' CG ' ' A' ' 108' ' ' ASP . 8.8 t80 -74.47 -45.55 45.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' PHE . 3.3 p-10 -37.42 -41.55 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.8 tp -83.95 -52.01 6.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -46.64 -58.13 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.642 ' CG ' ' CZ ' ' A' ' 104' ' ' PHE . 1.2 m-20 -85.2 18.12 2.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.478 HG21 ' CE1' ' A' ' 38' ' ' PHE . 3.6 t 35.41 41.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.409 ' NE ' ' HB3' ' A' ' 108' ' ' ASP . 1.3 mmp_? -69.43 -68.7 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -119.21 84.76 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -65.05 -37.32 87.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -47.81 -39.01 16.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -61.67 -35.73 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.447 HG22 ' CD2' ' A' ' 101' ' ' PHE . 38.5 t -72.34 -39.35 63.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 44.8 mt -58.24 -51.21 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.34 -40.82 75.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.0 m -45.79 -37.34 5.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 120' ' ' SER . 40.5 mt -73.99 -47.84 34.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.462 ' HA ' ' CG ' ' A' ' 136' ' ' PHE . 8.6 t -34.87 -46.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.498 ' O ' ' CD ' ' A' ' 124' ' ' ARG . 62.8 mtt-85 -72.69 -59.68 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 2.8 tp -42.04 -25.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 121' ' ' ARG . 3.8 p -79.6 15.55 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.498 ' CD ' ' O ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -110.41 -17.83 13.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.486 HG22 ' HE ' ' A' ' 124' ' ' ARG . 78.0 p -60.35 153.48 58.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 111.152 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.65 3.71 2.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.58 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.4 mp -107.18 -30.65 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.01 -37.08 55.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 132' ' ' GLY . 37.9 mt -78.07 -40.84 37.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -39.11 -38.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.7 p -64.82 -39.38 93.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 96.23 28.52 9.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.446 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.571 HG23 ' HB3' ' A' ' 20' ' ' HIS . 30.2 mt -87.67 139.55 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 133' ' ' ILE . 89.8 mtt180 -34.13 97.11 0.11 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.568 0.699 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 133' ' ' ILE . 54.2 Cg_endo -69.73 146.92 61.83 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.739 2.293 . . . . 0.0 112.355 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.462 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 11.4 m-85 -59.2 148.22 72.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.659 0.742 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 174.55 9.37 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.2 t -67.55 85.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -75.37 170.19 54.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 122.83 9.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 11.3 t -160.84 117.58 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 37.8 m -68.23 172.52 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t 62.34 30.39 17.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.903 0.382 . . . . 0.0 110.877 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.2 p -111.59 114.26 27.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.04 -111.08 0.33 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.7 t 43.48 44.11 4.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.855 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 p -86.79 171.24 11.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.71 -125.11 28.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 tpp -107.69 139.22 42.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.735 0.303 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -53.97 147.42 24.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -15.44 37.14 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.629 2.219 . . . . 0.0 112.319 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.533 ' CD1' HG13 ' A' ' 37' ' ' VAL . 5.6 p-90 -88.87 -37.08 15.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 3.8 mmmp? -55.54 -47.57 76.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -70.52 -47.81 58.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.1 t -41.31 -42.16 2.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.674 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -45.73 -49.61 14.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -51.93 -61.79 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.534 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 29.2 t90 -46.21 -40.53 11.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.864 ' O ' HG22 ' A' ' 23' ' ' VAL . 20.6 mt -63.03 -49.55 74.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.2 mt -57.45 -38.09 61.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.492 ' HB3' HG23 ' A' ' 133' ' ' ILE . 19.2 m-70 -78.54 -29.57 46.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.534 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 52.4 m -71.49 0.88 7.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm 67.57 48.98 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.864 HG22 ' O ' ' A' ' 18' ' ' LEU . 33.8 m -127.97 -30.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.881 HD22 ' CE1' ' A' ' 28' ' ' HIS . 86.8 mt -129.79 148.03 67.83 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.625 0.726 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 54.1 Cg_endo -69.73 158.29 57.49 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.694 2.262 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.1 p -69.32 -23.5 63.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -111.14 22.04 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.881 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.4 t-80 -48.94 178.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.27 -6.9 43.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.493 HG13 ' ND1' ' A' ' 28' ' ' HIS . 12.2 m -87.15 -12.81 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.4 p -84.58 -21.61 30.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.43 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 16.3 m95 -66.66 130.09 42.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -45.05 -52.25 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 p -47.79 -34.87 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 32' ' ' TRP . . . -46.47 160.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.08 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HG3' ' C ' ' A' ' 35' ' ' ALA . 52.6 mt-30 -147.33 163.1 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.533 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.8 m -37.25 -48.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 12.1 t80 -47.58 -62.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' PHE . 1.4 m-20 -36.04 -58.91 0.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.49 HD11 HD13 ' A' ' 18' ' ' LEU . 62.4 tp -66.52 -29.59 69.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -74.57 -20.65 59.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.091 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.638 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 44.5 mt-30 -78.99 -61.35 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.431 HG23 ' HG ' ' A' ' 44' ' ' LEU . 4.1 t -43.28 -23.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.132 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 49' ' ' LEU . 12.5 mt -105.92 -26.55 11.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 34.8 ttt180 -43.52 -36.53 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -67.81 -55.73 11.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.15 32.88 2.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.482 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.3 t -106.43 -30.63 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 52' ' ' GLN . 17.6 tp -85.52 -54.34 4.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.6 mt -34.36 -58.58 0.47 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.412 ' SG ' HG21 ' A' ' 67' ' ' ILE . 85.4 m -48.87 -41.97 35.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' LEU . 23.4 mt-30 -58.2 -52.18 66.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' GLN . 58.4 tp -34.22 -65.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.7 HD12 HD11 ' A' ' 62' ' ' ILE . 59.8 mt -53.97 -46.83 71.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 73.9 m-20 -55.46 -30.77 61.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -74.83 -43.77 52.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.45 ' HB3' HG22 ' A' ' 127' ' ' ILE . 31.1 mt -67.68 -58.34 4.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.545 ' HB2' HG21 ' A' ' 127' ' ' ILE . 11.4 ttt85 -113.86 157.98 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.8 144.56 25.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 62.26 33.76 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.811 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -79.57 -45.19 19.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.7 HD11 HD12 ' A' ' 54' ' ' LEU . 65.9 mt -148.56 128.98 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -82.0 114.61 20.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.495 HD23 HD11 ' A' ' 67' ' ' ILE . 95.9 mt -52.57 -36.49 55.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -63.49 -36.86 85.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.62 -26.51 67.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.495 HD11 HD23 ' A' ' 64' ' ' LEU . 21.3 pt -102.58 138.92 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.539 ' ND2' ' H ' ' A' ' 68' ' ' ASN . 0.3 OUTLIER -68.1 89.24 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.0 mt -47.14 -29.19 2.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -119.96 80.88 26.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.621 0.724 . . . . 0.0 110.845 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 72' ' ' GLN . 54.0 Cg_endo -69.79 -6.1 17.8 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 73' ' ' MET . 54.8 mt-30 36.02 54.59 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 72' ' ' GLN . 0.0 OUTLIER 34.83 49.37 0.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.1 m -94.14 177.82 5.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 27.3 tt0 -100.42 -36.97 9.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -80.32 -58.75 2.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.3 mt -52.29 -54.42 31.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 61.6 m -50.7 -66.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.2 mt -49.18 -39.57 29.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -56.9 15.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.457 ' ND2' ' OD1' ' A' ' 68' ' ' ASN . 40.4 m-20 -49.2 -63.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.643 ' CD1' HD23 ' A' ' 106' ' ' LEU . 85.0 mt -36.84 -58.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.181 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -43.68 -48.96 7.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.9 m -46.22 -44.96 16.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.25 -55.74 25.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.96 -28.46 16.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.55 HG22 ' HG3' ' A' ' 91' ' ' GLU . 37.2 m -73.75 -49.17 26.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.18 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.1 -32.88 71.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.78 -22.71 62.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.9 t -110.32 -22.27 11.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.55 ' HG3' HG22 ' A' ' 87' ' ' THR . 30.4 mm-40 -92.13 -54.43 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.1 m -75.05 -46.55 34.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.482 ' CE2' HD11 ' A' ' 122' ' ' LEU . 9.5 m-85 -93.23 -70.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 116.81 53.59 0.33 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.577 ' HE2' HD13 ' A' ' 122' ' ' LEU . 15.3 mtm -100.94 159.21 15.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.327 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -67.71 129.71 40.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.447 ' HD2' HD12 ' A' ' 100' ' ' LEU . 12.2 tptm -63.64 -32.52 74.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.5 m -66.71 -17.45 64.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -87.31 -35.38 18.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.447 HD12 ' HD2' ' A' ' 97' ' ' LYS . 26.7 mt -57.96 176.03 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.716 ' CE2' HG13 ' A' ' 115' ' ' VAL . 38.7 p90 -104.91 169.02 8.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 103' ' ' ALA . 13.1 tp10 -85.62 120.11 26.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 102' ' ' GLU . . . -34.5 -47.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.078 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 105' ' ' ASP . 13.2 t80 -59.34 -56.73 18.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 104' ' ' PHE . 55.7 m-20 -34.79 -38.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.643 HD23 ' CD1' ' A' ' 82' ' ' ILE . 16.5 tp -79.99 -56.46 4.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 9.9 t80 -48.18 -67.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -69.59 -10.62 58.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 109' ' ' VAL . 40.0 t 62.0 48.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -71.7 -63.78 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -130.41 100.02 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.632 ' CD2' HD11 ' A' ' 116' ' ' ILE . 29.5 t80 -68.83 -43.15 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.34 -33.02 1.93 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -66.73 -37.52 84.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.716 HG13 ' CE2' ' A' ' 101' ' ' PHE . 41.2 t -73.47 -37.9 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.632 HD11 ' CD2' ' A' ' 112' ' ' PHE . 56.4 mt -62.36 -46.09 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 118' ' ' THR . 8.9 tp10 -51.73 -56.99 10.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 117' ' ' GLU . 59.8 m -36.19 -47.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.462 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 14.1 mt -67.82 -48.94 64.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.577 ' HA ' ' CD1' ' A' ' 136' ' ' PHE . 62.4 m -43.15 -42.9 4.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 4.1 ptp180 -83.37 -45.8 13.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.668 ' O ' HG23 ' A' ' 125' ' ' THR . 16.3 tp -40.08 -45.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.476 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 84.1 p -44.63 -43.31 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 125' ' ' THR . 0.4 OUTLIER -42.01 -38.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 122' ' ' LEU . 60.3 p -44.82 148.94 0.87 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 111.148 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.451 ' O ' ' HB2' ' A' ' 130' ' ' ALA . 53.5 Cg_endo -69.83 1.56 4.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.313 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.545 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.4 mp -95.33 -48.54 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -61.29 -47.36 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 29.7 mt -68.29 -36.26 79.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 126' ' ' PRO . . . -45.76 -49.24 15.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.7 p -56.79 -36.59 70.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 97.86 22.57 15.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.492 HG23 ' HB3' ' A' ' 20' ' ' HIS . 63.4 mt -81.57 145.51 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 111.138 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 44.3 mmt-85 -47.87 107.55 0.76 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.563 0.697 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 140.94 43.97 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.358 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 120' ' ' SER . 46.3 m-85 -44.32 153.79 0.43 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.63 0.728 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.18 53.22 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.24 . . . . 0.0 112.34 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.1 t -125.3 125.73 43.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -169.86 179.4 42.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 85.45 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.1 t -98.45 161.11 13.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.3 p -48.28 136.85 11.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -69.71 90.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p -86.98 120.06 27.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.64 -103.18 0.88 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t 65.24 46.35 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.93 0.395 . . . . 0.0 110.843 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -120.26 82.08 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.72 -48.94 4.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.442 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.2 tpt -91.07 120.4 32.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.696 0.284 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.589 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 0.4 OUTLIER -58.16 157.87 15.44 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.664 0.745 . . . . 0.0 110.865 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -34.52 14.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.742 2.294 . . . . 0.0 112.324 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.658 ' CD1' HG13 ' A' ' 37' ' ' VAL . 48.1 p-90 -72.09 -42.55 66.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.593 ' HE2' ' CH2' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -34.21 -56.3 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -68.48 -42.47 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.0 t -45.23 -50.62 11.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -38.46 -51.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -47.67 -63.66 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.545 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 20.6 t90 -44.75 -47.95 10.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.931 ' O ' HG22 ' A' ' 23' ' ' VAL . 27.3 mt -55.95 -51.7 66.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.6 mt -55.21 -42.64 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.437 ' HB3' HG23 ' A' ' 133' ' ' ILE . 14.7 m-70 -74.84 -27.95 60.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 61.9 m -73.65 3.31 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp 65.7 45.06 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.931 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.8 m -123.25 -28.27 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.09 HD22 ' CE1' ' A' ' 28' ' ' HIS . 85.3 mt -134.48 151.49 76.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.507 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.73 168.55 21.2 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.405 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.5 p -76.24 -30.33 57.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -106.23 23.37 14.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 1.09 ' CE1' HD22 ' A' ' 24' ' ' LEU . 1.9 t-160 -48.55 169.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . 4.8 ptp180 -74.91 -45.97 39.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 26.7 m -48.61 -37.0 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.3 p -53.62 -47.44 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -53.35 126.04 19.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.12 -52.24 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.3 m -38.87 -40.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.409 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -53.58 161.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.095 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' VAL . 63.6 mt-30 -149.15 164.2 35.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.658 HG13 ' CD1' ' A' ' 11' ' ' TRP . 1.8 m -33.79 -48.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.98 -61.33 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -42.75 -60.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.435 ' O ' HG22 ' A' ' 43' ' ' THR . 46.8 tp -59.62 -29.73 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.91 -26.85 60.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' LEU . 26.5 mt-30 -74.3 -59.42 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.71 HG23 ' HG ' ' A' ' 44' ' ' LEU . 14.6 t -42.62 -24.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.71 ' HG ' HG23 ' A' ' 43' ' ' THR . 6.4 mt -104.81 -31.76 9.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 44' ' ' LEU . 12.8 ttt180 -36.46 -43.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -58.0 -50.44 73.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.15 26.35 7.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.465 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.1 t -101.72 -33.61 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.425 ' HB3' HD23 ' A' ' 44' ' ' LEU . 22.8 tp -81.85 -45.36 15.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -40.89 -57.99 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.628 ' SG ' HG21 ' A' ' 67' ' ' ILE . 68.9 m -50.22 -43.09 52.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -56.02 -46.36 78.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.0 tp -41.18 -64.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.561 HD12 HD11 ' A' ' 62' ' ' ILE . 46.7 mt -55.6 -45.85 77.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -56.79 -29.31 62.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -75.95 -44.82 38.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.573 ' HB3' HG22 ' A' ' 127' ' ' ILE . 22.9 mt -67.74 -56.41 9.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.732 ' HB2' HG21 ' A' ' 127' ' ' ILE . 12.6 ttt-85 -114.24 158.99 20.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.08 143.91 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 62.24 34.87 15.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.9 m -78.82 -42.4 27.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.561 HD11 HD12 ' A' ' 54' ' ' LEU . 58.8 mt -151.73 128.1 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -78.06 108.22 11.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.416 HD23 HD11 ' A' ' 67' ' ' ILE . 49.9 mt -45.34 -37.81 5.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -61.49 -38.18 86.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -64.52 -26.89 68.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.628 HG21 ' SG ' ' A' ' 51' ' ' CYS . 22.8 pt -100.65 137.69 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -70.85 87.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.5 mt -47.16 -29.44 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.32 81.52 22.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -16.79 37.71 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.383 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 50.27 40.85 23.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 29.6 mmt 47.97 42.56 16.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.1 m -87.53 176.87 7.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 11.3 tt0 -102.86 -51.44 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -65.06 -44.3 89.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.2 mt -67.18 -57.84 5.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.9 m -49.42 -59.72 3.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.4 mt -46.71 -47.37 20.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -60.16 4.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -38.48 -61.61 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 71.2 mt -41.05 -53.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.115 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -51.86 -51.59 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.8 m -42.5 -45.07 4.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 86' ' ' LEU . 2.4 t80 -64.22 -57.34 9.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.427 HD21 ' CE1' ' A' ' 101' ' ' PHE . 18.2 mt -50.3 -29.93 10.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.57 HG22 ' HG3' ' A' ' 91' ' ' GLU . 24.7 m -70.14 -48.27 58.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.09 -36.35 74.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.66 -16.6 27.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.3 t -113.84 -27.81 7.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.57 ' HG3' HG22 ' A' ' 87' ' ' THR . 20.0 mm-40 -90.71 -52.87 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.5 m -72.08 -50.52 27.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.459 ' CE2' HD11 ' A' ' 122' ' ' LEU . 15.8 m-85 -85.94 -65.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 119.61 37.39 0.78 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 14.4 mtm -95.01 159.14 15.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -69.46 -178.26 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.691 ' HD2' HD12 ' A' ' 100' ' ' LEU . 17.3 tptm -110.19 -27.39 9.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.0 t -58.77 -23.81 60.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -92.19 -27.43 17.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.691 HD12 ' HD2' ' A' ' 97' ' ' LYS . 97.2 mt -63.65 169.67 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.54 ' CD2' HG22 ' A' ' 115' ' ' VAL . 39.4 p90 -111.05 154.5 24.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -61.58 175.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.27 -33.71 14.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.433 ' O ' ' C ' ' A' ' 105' ' ' ASP . 27.7 t80 -75.71 -54.16 7.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 104' ' ' PHE . 30.1 p-10 -34.37 -41.64 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.482 HD13 HG21 ' A' ' 115' ' ' VAL . 11.2 tp -79.1 -44.55 21.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 29.1 t80 -55.02 -52.78 62.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.88 16.78 8.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 109' ' ' VAL . 43.6 t 41.87 36.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -59.18 -54.56 45.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -143.21 114.48 7.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.498 ' CD2' HD11 ' A' ' 116' ' ' ILE . 24.5 t80 -84.41 -40.39 17.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.88 -34.06 2.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.458 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -69.09 -38.6 79.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.54 HG22 ' CD2' ' A' ' 101' ' ' PHE . 40.3 t -69.75 -40.44 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.498 HD11 ' CD2' ' A' ' 112' ' ' PHE . 57.6 mt -58.11 -52.57 56.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -47.36 -45.4 24.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 29.4 m -48.08 -48.3 33.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.28 -43.62 92.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.4 t -51.35 -42.59 61.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -75.27 -30.16 60.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.501 ' O ' HG23 ' A' ' 125' ' ' THR . 24.8 tp -69.14 -54.12 16.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.619 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 28.9 p -43.06 -44.75 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -46.34 -41.3 13.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 122' ' ' LEU . 62.4 p -40.54 150.63 0.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.583 0.706 . . . . 0.0 111.173 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.96 22.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.732 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -86.3 -40.05 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -69.45 -43.94 72.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 43.7 mt -70.34 -36.43 74.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.48 -47.98 5.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.3 p -56.47 -36.17 68.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 98.96 23.3 11.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.437 HG23 ' HB3' ' A' ' 20' ' ' HIS . 56.0 mt -84.45 137.69 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 111.156 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -47.91 115.84 4.24 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.623 0.725 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 140.63 43.17 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.347 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.495 ' O ' ' CG ' ' A' ' 136' ' ' PHE . 3.0 p90 -132.44 121.19 17.28 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.677 0.751 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -165.85 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.1 t -76.04 -59.11 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -126.52 178.92 16.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 1.85 4.1 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.267 . . . . 0.0 112.305 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 33.4 m -103.09 148.03 26.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.5 t -122.24 -44.11 2.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 m -90.47 152.61 20.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -75.54 143.56 42.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.37 99.72 0.19 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -72.49 135.02 45.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -170.59 115.13 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.08 -168.68 18.17 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.539 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.9 ttp -94.08 95.1 8.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.744 0.307 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.588 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 4.1 mm-40 -47.62 161.9 0.32 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.682 0.753 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -44.29 2.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.258 . . . . 0.0 112.327 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.679 ' CD1' HG13 ' A' ' 37' ' ' VAL . 37.7 p-90 -63.16 -37.58 87.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.597 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 4.8 mmpt? -34.76 -68.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -55.79 -45.55 78.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.3 t -45.74 -49.05 15.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -41.3 -50.47 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -52.04 -62.22 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.531 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 30.7 t90 -45.06 -44.67 10.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.847 ' O ' HG22 ' A' ' 23' ' ' VAL . 64.6 mt -56.59 -54.35 46.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.3 mt -52.91 -44.76 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -69.57 -33.12 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.531 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 74.7 m -68.9 -3.46 12.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt 70.69 48.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.847 HG22 ' O ' ' A' ' 18' ' ' LEU . 30.6 m -124.46 -29.51 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.847 HD22 ' CE1' ' A' ' 28' ' ' HIS . 51.2 mt -133.32 151.66 77.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.494 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.4 Cg_endo -69.75 171.45 14.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.691 2.26 . . . . 0.0 112.322 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.9 p -79.91 -24.04 41.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -110.29 23.35 14.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.847 ' CE1' HD22 ' A' ' 24' ' ' LEU . 1.9 t-80 -52.61 173.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -80.53 -41.58 23.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.4 m -50.87 -38.2 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.4 p -56.95 -43.88 82.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -50.93 134.13 26.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -53.63 -45.81 70.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.0 p -50.31 -24.82 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.52 157.35 36.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' VAL . 33.2 mt-30 -141.46 165.4 27.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.679 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.2 m -34.9 -45.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.686 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 11.4 t80 -48.39 -62.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -39.69 -55.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' A' ' 18' ' ' LEU . 64.3 tp -66.34 -23.85 66.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . -81.9 -23.55 36.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.686 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 49.2 mt-30 -75.97 -49.67 17.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.403 HG23 ' HG ' ' A' ' 44' ' ' LEU . 5.3 t -54.83 -25.15 26.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' ARG . 14.4 mt -103.64 -28.41 11.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' LEU . 30.2 ttt180 -37.68 -41.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -63.96 -54.93 26.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.93 25.72 5.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.695 HG13 HD23 ' A' ' 69' ' ' LEU . 96.6 t -99.7 -37.49 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.119 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.9 tp -78.62 -46.38 19.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.8 mt -41.76 -46.72 3.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.413 ' HA ' HD12 ' A' ' 62' ' ' ILE . 52.7 m -61.79 -41.06 97.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 53' ' ' LEU . 25.1 mt-30 -56.68 -49.29 75.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' GLN . 35.7 tp -37.43 -61.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.601 HD12 HD11 ' A' ' 62' ' ' ILE . 78.7 mt -56.3 -40.27 74.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.07 -24.19 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -79.26 -44.78 21.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.449 ' HB3' HG22 ' A' ' 127' ' ' ILE . 21.4 mt -72.56 -54.51 8.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.786 ' HB2' HG21 ' A' ' 127' ' ' ILE . 1.7 ttp180 -111.47 162.48 15.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.65 143.6 29.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 63.56 25.53 14.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -70.1 -40.92 74.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.601 HD11 HD12 ' A' ' 54' ' ' LEU . 52.7 mt -152.42 127.43 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 66' ' ' GLU . 52.0 t-20 -80.46 109.94 15.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.0 mt -44.17 -33.51 1.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -66.23 -37.04 84.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' ASN . 8.3 mt-10 -66.15 -17.13 64.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.48 ' CG2' HG21 ' A' ' 84' ' ' THR . 24.2 pt -113.35 128.75 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -67.45 107.52 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.695 HD23 HG13 ' A' ' 48' ' ' VAL . 29.0 mt -83.15 136.29 34.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.449 ' N ' ' CD ' ' A' ' 71' ' ' PRO . 31.5 ttm-85 73.56 54.3 0.28 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.638 0.733 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 70' ' ' ARG . 53.7 Cg_endo -69.79 2.9 3.13 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 44.76 44.09 7.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.492 ' N ' ' SD ' ' A' ' 73' ' ' MET . 0.0 OUTLIER 49.8 46.17 24.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.1 t -83.38 -179.91 7.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.585 ' O ' HD12 ' A' ' 79' ' ' LEU . 55.7 tt0 -103.68 -40.39 6.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -77.98 -41.61 35.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.18 -64.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 68.9 m -43.65 -61.03 1.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' ' 75' ' ' GLN . 16.5 mt -43.3 -61.76 1.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -48.79 -58.4 4.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -38.51 -62.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.564 HG21 ' HA ' ' A' ' 103' ' ' ALA . 55.9 mt -39.81 -62.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.464 ' HA ' HD12 ' A' ' 86' ' ' LEU . 44.1 mtt180 -37.75 -49.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.48 HG21 ' CG2' ' A' ' 67' ' ' ILE . 51.8 m -45.9 -61.74 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -49.11 -50.68 36.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 83' ' ' ARG . 19.5 mt -56.8 -34.42 67.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.1 m -69.4 -46.96 65.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.48 -35.85 74.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.9 m -60.75 -14.72 23.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 45.3 t -113.44 -22.17 10.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -94.85 -55.07 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.468 ' CG2' ' HD3' ' A' ' 58' ' ' ARG . 87.8 m -70.8 -50.94 30.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.514 ' CE2' HD11 ' A' ' 122' ' ' LEU . 6.2 m-85 -92.27 -68.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.93 61.47 0.43 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 59.3 mtp -102.71 166.74 10.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -73.87 119.11 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -48.06 -35.22 10.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.6 t -64.19 -31.5 72.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -69.68 -38.16 76.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.43 177.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.534 ' CE2' HG13 ' A' ' 115' ' ' VAL . 51.6 p90 -112.32 166.93 10.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -80.73 132.59 35.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.564 ' HA ' HG21 ' A' ' 82' ' ' ILE . . . -46.58 -38.16 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' ASP . 17.8 t80 -68.01 -60.79 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 104' ' ' PHE . 7.5 m-20 -34.47 -42.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.514 HD23 HG12 ' A' ' 82' ' ' ILE . 13.4 tp -74.33 -47.36 34.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' PHE . 9.0 t80 -59.18 -58.5 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -78.28 7.55 6.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 109' ' ' VAL . 20.2 t 40.81 47.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.449 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 12.4 mtp-105 -73.03 -58.88 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -131.21 95.24 3.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -68.14 -41.15 82.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.62 -36.1 1.55 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -64.87 -38.66 91.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.534 HG13 ' CE2' ' A' ' 101' ' ' PHE . 44.2 t -71.17 -36.33 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 50.8 mt -62.49 -53.44 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -51.23 -51.69 51.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 55.9 m -38.09 -48.52 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.5 mt -63.87 -47.44 80.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.403 ' HA ' ' CD2' ' A' ' 136' ' ' PHE . 43.0 t -45.37 -38.79 6.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 122' ' ' LEU . 89.1 mtt180 -79.77 -57.33 3.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.573 ' O ' HG23 ' A' ' 125' ' ' THR . 14.4 tp -36.02 -45.08 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 78.7 p -44.48 -47.29 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -42.23 -36.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 122' ' ' LEU . 70.1 p -47.28 146.69 3.03 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.616 0.722 . . . . 0.0 111.147 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 0.66 5.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.786 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.2 mp -95.48 -38.89 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -72.04 -48.21 46.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.3 mt -65.54 -35.62 81.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.3 -51.77 6.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 29.5 p -53.87 -37.67 63.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 101.66 19.31 15.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 71.3 mt -76.67 135.74 26.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 0.0 111.15 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -44.06 121.73 3.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 141.89 46.65 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.612 ' CB ' ' CD ' ' A' ' 137' ' ' PRO . 2.3 m-85 -43.77 -69.02 0.24 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.731 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.612 ' CD ' ' CB ' ' A' ' 136' ' ' PHE . 53.7 Cg_endo -69.76 -168.88 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 33.0 p -58.71 -57.7 11.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 147.74 -171.18 28.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.456 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.47 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.365 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.8 t 61.41 43.58 10.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 78.9 p -120.86 -53.01 2.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.7 m -99.97 -55.73 2.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 110.804 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -58.39 -56.79 17.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.84 97.04 1.64 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -52.16 139.23 24.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 m -122.16 113.29 19.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.04 -91.22 0.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.428 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 tpp -141.63 130.62 23.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.717 0.294 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' HB2' ' CG ' ' A' ' 12' ' ' LYS . 36.4 mm-40 -54.82 154.33 9.71 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.627 0.727 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -31.61 19.95 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.653 2.235 . . . . 0.0 112.317 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.579 ' CZ2' ' HE3' ' A' ' 12' ' ' LYS . 12.5 p-90 -76.87 -48.78 17.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.579 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 2.4 mmpt? -39.01 -58.07 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.495 ' OE1' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -65.72 -34.44 78.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.495 ' N ' ' OE1' ' A' ' 13' ' ' GLN . 36.6 t -53.64 -44.25 69.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.79 -48.18 10.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -49.21 -58.26 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.505 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 22.0 t90 -48.83 -46.33 41.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.763 ' O ' HG22 ' A' ' 23' ' ' VAL . 85.7 mt -55.57 -52.86 62.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.1 mt -52.73 -42.97 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.08 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.536 ' HB3' HG23 ' A' ' 133' ' ' ILE . 10.5 m-70 -71.24 -36.81 71.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.505 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 88.9 m -66.75 -4.35 8.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt 70.38 49.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 18' ' ' LEU . 21.6 m -125.47 -27.35 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.089 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.994 HD22 ' CE1' ' A' ' 28' ' ' HIS . 92.0 mt -132.28 147.74 66.92 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 0.0 110.942 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.48 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.9 Cg_endo -69.75 161.89 44.19 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.741 2.294 . . . . 0.0 112.35 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.8 p -70.06 -31.23 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -105.23 24.96 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.994 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.0 t-160 -51.58 173.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -83.08 -39.5 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 m -56.47 -33.08 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.8 p -59.47 -46.43 88.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -52.37 134.17 34.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.86 -50.33 26.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 m -40.34 -35.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.89 166.01 2.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 37' ' ' VAL . 81.3 mt-30 -152.09 165.26 35.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 36' ' ' GLN . 1.9 m -33.87 -44.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.682 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 11.6 t80 -52.35 -62.29 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 38' ' ' PHE . 3.7 t0 -36.77 -59.15 0.7 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.59 HD11 ' CD1' ' A' ' 18' ' ' LEU . 43.3 tp -61.76 -32.42 72.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.603 ' HB1' HG13 ' A' ' 109' ' ' VAL . . . -74.33 -22.85 59.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.052 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.682 ' NE2' ' CE2' ' A' ' 38' ' ' PHE . 41.5 mt-30 -78.25 -57.25 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.2 t -47.14 -23.02 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.51 ' CD2' HD23 ' A' ' 49' ' ' LEU . 8.5 mt -103.89 -30.66 10.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' LEU . 29.3 ttt180 -37.45 -37.42 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.52 -47.79 80.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 98.85 23.05 12.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG13 HD23 ' A' ' 69' ' ' LEU . 93.8 t -101.63 -32.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 111.095 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 44' ' ' LEU . 61.2 tp -81.27 -54.03 5.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.8 mt -35.22 -52.93 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.414 ' HA ' HD12 ' A' ' 62' ' ' ILE . 57.0 m -55.08 -42.62 73.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 49' ' ' LEU . 31.0 mt-30 -53.7 -45.54 70.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.4 tp -43.26 -61.84 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.838 HD12 HD11 ' A' ' 62' ' ' ILE . 72.4 mt -54.44 -40.79 68.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 71.1 m-20 -63.97 -25.57 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -77.55 -47.99 18.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.24 -55.08 24.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.61 ' HB2' HG21 ' A' ' 127' ' ' ILE . 8.9 ttt85 -116.92 157.43 25.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.26 143.91 26.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 61.52 35.84 17.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.7 m -79.96 -44.2 20.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.838 HD11 HD12 ' A' ' 54' ' ' LEU . 52.9 mt -146.32 120.94 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -71.5 108.68 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.1 mt -47.68 -35.81 10.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -63.52 -34.16 77.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -68.15 -23.19 64.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.406 HG21 ' SG ' ' A' ' 51' ' ' CYS . 29.5 pt -105.47 134.15 47.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -72.77 89.33 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.561 HD23 HG13 ' A' ' 48' ' ' VAL . 39.7 mt -51.7 -37.05 49.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -112.49 87.3 9.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.609 0.718 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -29.52 23.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.381 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 59.97 35.26 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 16.4 mmt 61.57 50.78 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.439 ' HB2' HD12 ' A' ' 77' ' ' LEU . 2.8 m -115.88 92.71 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 74' ' ' SER . 33.2 tt0 -35.62 -48.21 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -51.58 -50.27 60.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.439 HD12 ' HB2' ' A' ' 74' ' ' SER . 80.4 mt -71.39 -56.28 6.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.2 m -44.51 -56.98 3.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.5 mt -52.62 -48.06 66.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -55.63 -56.33 21.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -42.93 -59.29 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.444 HG12 HD23 ' A' ' 106' ' ' LEU . 69.7 mt -41.83 -61.02 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -40.31 -54.63 2.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.4 m -39.08 -57.51 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.148 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -53.89 -58.69 6.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.645 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 16.7 mt -51.17 -31.38 19.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.3 m -70.31 -57.8 4.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -48.09 -46.34 33.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 3.5 m -43.6 -23.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 88' ' ' ALA . 42.5 t -105.98 -25.06 12.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 88' ' ' ALA . 4.7 mt-10 -89.69 -57.33 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.7 m -68.4 -49.1 62.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.582 ' CE1' HD22 ' A' ' 54' ' ' LEU . 28.0 m-85 -95.01 -67.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.77 57.55 0.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 74.2 mtp -98.63 -177.99 3.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.761 0.315 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -89.0 114.83 26.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -49.29 -38.58 27.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.2 t -54.62 -33.95 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -72.54 -37.6 68.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.8 mt -53.55 163.6 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.645 ' CZ ' HD21 ' A' ' 86' ' ' LEU . 43.1 p90 -93.83 165.38 12.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.08 141.91 43.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.89 -30.88 62.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 105' ' ' ASP . 9.4 t80 -79.75 -55.51 4.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 104' ' ' PHE . 0.9 OUTLIER -34.66 -43.66 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.444 HD23 HG12 ' A' ' 82' ' ' ILE . 16.3 tp -75.08 -45.82 38.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 104' ' ' PHE . 9.7 t80 -58.92 -57.77 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' VAL . 1.1 m-20 -87.72 15.1 7.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.603 HG13 ' HB1' ' A' ' 41' ' ' ALA . 5.6 t 35.32 50.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -78.33 -62.5 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 105' ' ' ASP . 1.1 m-20 -120.32 69.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.467 ' CD2' HD11 ' A' ' 116' ' ' ILE . 25.8 t80 -47.74 -33.82 7.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.69 -51.68 5.64 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -48.96 -34.52 13.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.532 HG22 ' CG ' ' A' ' 101' ' ' PHE . 17.0 t -75.15 -39.09 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 112' ' ' PHE . 55.1 mt -67.08 -49.57 72.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -57.36 -51.69 68.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 55.3 m -39.44 -51.73 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.493 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 31.5 mt -57.02 -45.37 83.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.567 ' HA ' ' CD1' ' A' ' 136' ' ' PHE . 23.2 t -45.08 -45.13 10.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 32.1 mtt-85 -72.82 -53.41 11.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.434 ' O ' HG23 ' A' ' 125' ' ' THR . 10.5 tp -38.75 -52.26 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.586 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 60.5 p -37.55 -42.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 125' ' ' THR . 12.7 mmm180 -46.99 -46.3 21.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 122' ' ' LEU . 80.3 p -35.68 147.28 0.17 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 111.155 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -1.22 8.09 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.61 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.3 mp -97.08 -36.9 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -71.22 -40.78 70.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 132' ' ' GLY . 52.7 mt -73.87 -38.65 64.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.71 -46.88 3.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 34.2 p -60.63 -33.87 73.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 90.28 26.62 23.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.536 HG23 ' HB3' ' A' ' 20' ' ' HIS . 41.2 mt -83.43 142.98 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 133' ' ' ILE . 36.1 mtp85 -33.78 96.92 0.11 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 133' ' ' ILE . 53.7 Cg_endo -69.79 144.17 53.01 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 120' ' ' SER . 20.5 m-85 -57.89 151.74 42.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 149.73 67.27 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.335 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.9 m -159.34 152.13 21.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -41.41 151.14 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 141' ' ' SER . 53.7 Cg_endo -69.78 -42.84 3.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.322 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 140' ' ' PRO . 23.8 m -34.88 -47.77 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.5 t -63.16 131.23 47.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m -49.61 -58.71 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -94.7 108.84 20.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.45 -115.06 1.01 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.453 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.3 p -136.48 167.61 21.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -116.38 80.42 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.13 -179.38 52.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.9 tpp -51.39 112.16 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.732 0.301 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.77 156.46 2.39 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.636 0.731 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -10.42 28.54 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.737 2.291 . . . . 0.0 112.328 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.739 ' CD1' HG13 ' A' ' 37' ' ' VAL . 6.4 p-90 -88.59 -31.0 18.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -55.84 -47.32 77.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -73.83 -41.64 62.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.1 t -50.75 -39.88 53.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.432 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -48.05 -47.09 33.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -53.0 -62.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.536 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 24.2 t90 -38.84 -46.83 1.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.878 ' O ' HG22 ' A' ' 23' ' ' VAL . 22.8 mt -57.27 -52.02 67.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.58 HD11 HG22 ' A' ' 31' ' ' THR . 61.3 mt -54.6 -43.85 66.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -73.92 -28.09 61.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.536 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 50.5 m -73.19 2.37 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 66.02 45.87 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.878 HG22 ' O ' ' A' ' 18' ' ' LEU . 27.7 m -123.4 -28.27 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.01 HD22 ' CE1' ' A' ' 28' ' ' HIS . 88.0 mt -133.69 151.5 77.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.704 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.462 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.6 Cg_endo -69.7 157.25 61.15 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.367 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -66.52 -29.9 70.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -105.75 24.96 11.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 1.01 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.3 t-160 -52.67 -179.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -86.4 -33.64 20.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 m -64.08 -16.58 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.58 HG22 HD11 ' A' ' 19' ' ' ILE . 74.1 p -79.14 -26.79 42.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -66.6 138.27 57.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -56.76 -29.39 62.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.3 m -66.57 -30.38 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.44 159.52 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.476 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . 72.8 mt-30 -148.56 166.73 27.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.739 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.3 m -33.96 -48.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.54 -59.42 4.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.2 -58.28 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.617 HD11 ' CD1' ' A' ' 18' ' ' LEU . 35.8 tp -67.57 -18.17 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.15 -27.58 28.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -75.12 -52.81 10.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.46 HG23 ' HG ' ' A' ' 44' ' ' LEU . 5.9 t -47.97 -25.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' HG ' HG23 ' A' ' 43' ' ' THR . 24.4 mt -102.53 -29.31 11.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -41.31 -36.53 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -62.56 -53.51 53.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.78 24.24 7.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -102.47 -35.76 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 111.142 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.8 tp -78.0 -55.64 5.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' LEU . 12.6 mt -35.28 -58.74 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.3 m -47.85 -42.23 25.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' LEU . 25.9 mt-30 -57.14 -51.88 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' GLN . 47.7 tp -34.54 -61.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.428 HD12 HD11 ' A' ' 62' ' ' ILE . 33.2 mt -57.91 -40.64 80.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' GLN . 71.0 m-20 -62.88 -23.74 67.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -80.83 -49.03 11.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.642 ' HB3' HG22 ' A' ' 127' ' ' ILE . 20.7 mt -64.37 -52.66 57.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.44 ' HB2' HG21 ' A' ' 127' ' ' ILE . 19.6 ttt-85 -117.13 159.45 22.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.429 ' O ' ' NH1' ' A' ' 58' ' ' ARG . . . -93.79 147.09 23.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 61.74 26.01 15.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -69.84 -41.55 74.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.428 HD11 HD12 ' A' ' 54' ' ' LEU . 32.9 mt -152.34 138.48 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.401 ' C ' ' OD1' ' A' ' 63' ' ' ASN . 39.3 t-20 -90.65 108.06 19.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.592 HD23 HD11 ' A' ' 67' ' ' ILE . 84.5 mt -45.51 -42.88 11.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.475 ' HE2' ' N ' ' A' ' 65' ' ' LYS . 10.2 mmpt? -58.96 -33.16 70.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.65 -24.82 60.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 1.001 ' CG2' HG21 ' A' ' 84' ' ' THR . 15.2 pt -104.26 132.54 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -55.95 118.46 4.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.446 ' C ' ' HD3' ' A' ' 71' ' ' PRO . 18.1 mt -91.2 -22.92 20.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.473 ' C ' ' H ' ' A' ' 72' ' ' GLN . 10.2 mpt_? -113.5 63.54 0.99 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 73' ' ' MET . 54.2 Cg_endo -69.71 17.88 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.498 ' C ' ' O ' ' A' ' 71' ' ' PRO . 94.9 mt-30 -28.03 92.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.508 ' N ' ' O ' ' A' ' 71' ' ' PRO . 33.6 mmt 34.02 49.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 77' ' ' LEU . 4.8 t -118.1 85.71 2.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.466 ' HG2' HD12 ' A' ' 79' ' ' LEU . 32.1 tt0 -34.02 -57.04 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -46.15 -43.28 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 74' ' ' SER . 49.2 mt -73.02 -47.66 43.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 85.1 m -56.95 -64.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.466 HD12 ' HG2' ' A' ' 75' ' ' GLN . 18.1 mt -45.46 -59.8 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -49.1 -57.83 5.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -39.62 -57.75 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.447 HG21 ' HA ' ' A' ' 103' ' ' ALA . 71.9 mt -46.28 -58.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -45.92 -50.92 14.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 1.001 HG21 ' CG2' ' A' ' 67' ' ' ILE . 28.9 m -41.33 -44.35 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -65.12 -63.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.5 mt -45.56 -27.1 0.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.8 m -71.69 -52.79 16.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.67 -25.88 65.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 70.8 m -60.81 -27.79 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 13.7 t -105.82 -25.29 12.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -88.0 -61.86 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.8 m -64.1 -53.68 45.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -89.73 -66.99 0.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.97 72.89 0.91 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.4 ptp -120.6 171.07 8.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.764 0.316 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.8 mtt-85 -56.14 99.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -49.9 -37.68 32.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.9 t -57.31 -39.33 75.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 121' ' ' ARG . 72.8 mm-40 -62.28 -41.91 98.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.1 mt -43.25 162.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.457 ' CZ ' HG13 ' A' ' 115' ' ' VAL . 23.4 p90 -106.43 168.9 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.506 ' CD ' ' CG ' ' A' ' 105' ' ' ASP . 1.1 pm0 -78.86 -175.52 4.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.447 ' HA ' HG21 ' A' ' 82' ' ' ILE . . . -96.16 -38.58 10.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 105' ' ' ASP . 4.6 t80 -59.65 -59.89 4.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.506 ' CG ' ' CD ' ' A' ' 102' ' ' GLU . 6.5 m-20 -36.81 -38.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.742 HD13 HG21 ' A' ' 115' ' ' VAL . 29.1 tp -83.98 -47.68 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -54.88 -56.3 21.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -85.75 18.18 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 109' ' ' VAL . 4.5 t 38.3 31.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -59.56 -62.71 1.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -127.6 92.41 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -72.43 -39.2 68.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -44.09 -34.45 3.16 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.456 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -64.5 -37.33 87.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.742 HG21 HD13 ' A' ' 106' ' ' LEU . 23.8 t -70.37 -39.16 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 45.1 mt -61.97 -44.04 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -57.69 -54.81 42.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 121' ' ' ARG . 22.0 m -40.49 -51.17 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.5 mt -62.09 -38.04 87.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.463 ' HA ' ' CD1' ' A' ' 136' ' ' PHE . 4.9 t -50.28 -45.29 54.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.497 ' O ' ' CG ' ' A' ' 124' ' ' ARG . 9.9 ptt-85 -80.58 -36.74 32.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 125' ' ' THR . 42.7 tp -48.98 -46.5 43.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.438 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 15.5 p -52.61 -23.96 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 121' ' ' ARG . 1.0 OUTLIER -60.12 -28.01 67.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 122' ' ' LEU . 46.4 p -57.57 150.97 42.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.562 0.696 . . . . 0.0 111.156 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 130' ' ' ALA . 53.8 Cg_endo -69.72 1.06 4.75 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.642 HG22 ' HB3' ' A' ' 57' ' ' LEU . 5.2 mp -93.33 -42.04 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.438 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -70.19 -54.89 10.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 28.8 mt -57.68 -38.99 76.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 126' ' ' PRO . . . -45.16 -49.33 12.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.1 p -54.89 -36.11 64.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 97.5 21.06 20.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 54.3 mt -80.5 140.17 17.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 134' ' ' ARG . 4.5 ptp180 -44.19 103.55 0.33 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 140.9 43.54 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.68 2.253 . . . . 0.0 112.283 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 120' ' ' SER . 31.9 m-85 -40.76 155.96 0.2 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.658 0.742 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -4.6 14.36 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.621 2.214 . . . . 0.0 112.383 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.0 t -103.05 109.57 21.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 154.95 156.94 7.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -179.74 3.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.634 2.222 . . . . 0.0 112.399 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 32.0 p -53.63 151.67 5.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 69.7 m -96.36 93.49 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.816 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.477 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -151.62 106.92 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 t -44.83 153.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.97 72.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.484 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 m -137.4 156.8 47.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.2 p -122.02 118.94 30.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.807 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.82 174.01 19.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.5 ttp -104.08 101.38 11.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.727 0.298 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.479 ' CG ' ' HE3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -50.28 159.2 0.87 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.659 0.743 . . . . 0.0 110.896 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -42.6 3.25 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.649 2.233 . . . . 0.0 112.319 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.536 ' CE2' ' HD2' ' A' ' 12' ' ' LYS . 13.8 p-90 -75.29 -41.53 56.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.536 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -33.39 -57.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -70.04 -44.03 70.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 15' ' ' ALA . 12.9 t -44.87 -52.38 8.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.608 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -34.84 -46.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.068 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' TRP . 14.7 mm-40 -56.55 -68.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.537 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 25.7 t90 -35.8 -49.51 0.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.74 ' O ' HG22 ' A' ' 23' ' ' VAL . 19.0 mt -53.27 -55.98 20.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.2 mt -50.43 -43.25 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -71.82 -34.29 69.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.537 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 88.1 m -66.84 -4.37 9.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp 71.74 46.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 18' ' ' LEU . 26.8 m -123.31 -29.52 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.854 HD22 ' CE1' ' A' ' 28' ' ' HIS . 46.8 mt -132.72 147.82 67.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.556 0.693 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.453 ' HD2' ' CD2' ' A' ' 28' ' ' HIS . 53.7 Cg_endo -69.74 165.1 32.1 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -74.72 -25.6 59.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -109.55 27.0 9.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.854 ' CE1' HD22 ' A' ' 24' ' ' LEU . 1.8 t-80 -56.88 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.581 ' HD3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -90.66 -33.74 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 m -64.96 -19.31 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.4 p -71.35 -36.95 71.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.177 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -58.67 130.8 48.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -49.43 -44.06 45.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.1 m -50.17 -42.83 51.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.423 ' C ' ' HG3' ' A' ' 36' ' ' GLN . . . -46.79 167.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 37' ' ' VAL . 80.0 mt-30 -150.03 164.47 35.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.454 HG13 ' CD1' ' A' ' 11' ' ' TRP . 2.0 m -34.78 -44.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.409 ' CD1' ' CG ' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -50.49 -58.22 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -41.54 -61.07 1.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.564 HD11 HD13 ' A' ' 18' ' ' LEU . 59.3 tp -63.4 -23.38 67.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.76 -25.72 37.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.409 ' CG ' ' CD1' ' A' ' 38' ' ' PHE . 29.1 mt-30 -77.38 -53.8 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.429 HG23 ' HG ' ' A' ' 44' ' ' LEU . 5.6 t -50.29 -23.16 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.429 ' HG ' HG23 ' A' ' 43' ' ' THR . 18.9 mt -102.83 -28.87 11.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.427 ' NH1' ' HE1' ' A' ' 73' ' ' MET . 13.4 ttt180 -41.18 -34.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.74 -47.59 80.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.74 24.38 12.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.519 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.4 t -103.01 -36.13 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 111.14 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' HD23 ' A' ' 44' ' ' LEU . 33.4 tp -78.49 -49.5 13.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.9 mt -39.25 -58.02 1.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.633 ' SG ' HG21 ' A' ' 67' ' ' ILE . 88.2 m -49.01 -43.12 40.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' LEU . 19.8 mt-30 -56.52 -50.16 72.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' GLN . 61.2 tp -35.3 -63.09 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.704 HD12 HD11 ' A' ' 62' ' ' ILE . 61.6 mt -57.01 -44.91 83.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 81.4 m-20 -56.88 -27.79 61.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -76.37 -42.36 44.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.443 ' HB3' HG22 ' A' ' 127' ' ' ILE . 20.4 mt -68.89 -54.77 13.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -118.3 157.68 26.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.92 146.02 24.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.071 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.3 m170 62.49 25.9 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.411 ' HB3' HG21 ' A' ' 92' ' ' THR . 4.9 m -70.66 -43.9 68.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.704 HD11 HD12 ' A' ' 54' ' ' LEU . 51.2 mt -149.0 126.37 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -78.42 107.92 11.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.6 mt -44.27 -32.36 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -67.19 -38.43 85.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -61.99 -25.03 67.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.633 HG21 ' SG ' ' A' ' 51' ' ' CYS . 25.1 pt -105.19 141.07 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -75.17 92.88 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 mt -52.14 -24.04 6.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -122.08 86.52 46.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.567 0.699 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 72' ' ' GLN . 54.1 Cg_endo -69.79 1.07 4.78 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 71' ' ' PRO . 73.3 mt-30 34.48 48.19 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.427 ' HE1' ' NH1' ' A' ' 45' ' ' ARG . 48.3 mmm 38.68 49.07 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 m -104.89 175.26 5.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -98.16 -37.73 9.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -74.22 -56.38 4.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.3 mt -54.66 -57.42 11.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.0 t -48.38 -59.73 3.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 75.0 mt -51.42 -54.77 23.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.12 -52.54 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -47.98 -57.73 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.5 mt -46.71 -58.28 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.2 mtp85 -42.45 -55.02 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.427 HG21 HG23 ' A' ' 67' ' ' ILE . 67.2 m -40.24 -48.87 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -58.61 -58.58 7.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 100' ' ' LEU . 14.8 mt -50.44 -28.85 8.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.676 HG22 ' HG3' ' A' ' 91' ' ' GLU . 18.6 m -70.85 -46.61 62.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.4 -32.69 70.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 98.6 m -52.23 -25.25 8.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 48.8 t -110.9 -31.36 7.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.676 ' HG3' HG22 ' A' ' 87' ' ' THR . 4.7 mm-40 -78.93 -53.22 7.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.411 HG21 ' HB3' ' A' ' 61' ' ' SER . 98.1 m -74.91 -53.39 9.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.749 ' CE2' HD11 ' A' ' 122' ' ' LEU . 6.9 m-85 -88.18 -70.74 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.47 44.29 0.72 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 20.4 ptm -96.6 174.47 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.316 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.468 ' CB ' ' OE2' ' A' ' 99' ' ' GLU . 56.5 mtm-85 -61.49 172.93 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -103.09 -34.64 8.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.1 m -59.07 -30.25 67.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.511 ' N ' ' CD ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -65.89 -46.17 79.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.561 ' HB3' HD22 ' A' ' 86' ' ' LEU . 20.6 mt -45.76 157.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.575 ' CE2' HG13 ' A' ' 115' ' ' VAL . 43.1 p90 -102.94 151.47 22.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.95 125.92 26.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.85 -48.19 51.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -56.05 -53.65 54.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.24 -32.74 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.66 HD13 HG21 ' A' ' 115' ' ' VAL . 14.6 tp -84.36 -49.33 8.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -50.87 -59.39 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -81.67 -6.29 58.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.401 ' O ' HG12 ' A' ' 109' ' ' VAL . 6.5 t 61.58 46.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -70.37 -64.43 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.3 97.6 4.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -69.48 -38.33 77.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -43.19 -36.29 2.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -64.58 -38.5 91.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.66 HG21 HD13 ' A' ' 106' ' ' LEU . 59.8 t -69.23 -37.22 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.0 mt -63.43 -49.97 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -50.99 -52.66 40.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 87.6 m -38.42 -48.09 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.418 ' HB3' ' CZ3' ' A' ' 17' ' ' TRP . 17.5 mt -67.97 -42.9 80.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.54 ' HA ' ' CD2' ' A' ' 136' ' ' PHE . 20.0 m -47.63 -36.75 11.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 122' ' ' LEU . 46.5 mtt-85 -85.01 -56.65 3.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.749 HD11 ' CE2' ' A' ' 93' ' ' PHE . 21.8 tp -34.97 -44.84 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.613 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 59.6 p -45.49 -48.5 14.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 124' ' ' ARG . 15.4 mtp-105 -42.09 -37.82 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 122' ' ' LEU . 61.7 p -42.35 148.64 0.5 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.571 0.701 . . . . 0.0 111.135 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -0.46 6.93 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.365 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.443 HG22 ' HB3' ' A' ' 57' ' ' LEU . 5.4 mp -96.27 -41.93 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 123' ' ' SER . . . -66.84 -41.81 86.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 132' ' ' GLY . 49.7 mt -70.89 -44.62 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -37.79 -47.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 43.9 p -60.92 -37.42 82.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 95.99 25.94 12.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 70.4 mt -81.88 146.17 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 111.099 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -37.47 99.39 0.18 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 140.9 44.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.268 . . . . 0.0 112.387 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.54 ' CD2' ' HA ' ' A' ' 120' ' ' SER . 31.4 m-85 -57.71 156.51 17.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.668 0.746 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 102.61 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.371 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 21.4 p -107.34 -42.51 4.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -57.41 -175.15 0.35 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 164.44 34.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 82.0 p -151.47 128.25 10.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 77.8 p -136.07 175.92 9.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 t -110.92 92.42 4.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.6 m -60.52 143.48 53.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.81 134.9 2.35 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -144.42 173.66 11.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.888 0.375 . . . . 0.0 110.81 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -103.36 113.45 26.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.2 88.14 1.41 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.462 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 ptp -124.09 159.63 29.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.723 0.296 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -53.85 153.21 8.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.665 0.745 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -16.36 37.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.313 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.637 ' CD1' ' CG1' ' A' ' 37' ' ' VAL . 4.9 p-90 -78.59 -29.47 46.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' HD3' ' CZ2' ' A' ' 11' ' ' TRP . 21.2 mmtm -58.65 -51.85 68.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -69.19 -46.26 67.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.2 t -42.39 -47.8 5.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.556 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -39.92 -48.15 2.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -54.02 -61.0 2.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.539 ' CE2' ' SG ' ' A' ' 21' ' ' CYS . 16.8 t90 -45.26 -48.03 12.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.835 ' O ' HG22 ' A' ' 23' ' ' VAL . 17.9 mt -53.73 -51.37 63.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.9 mt -55.78 -41.2 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -74.5 -30.31 61.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.539 ' SG ' ' CE2' ' A' ' 17' ' ' TRP . 94.3 m -71.02 0.19 8.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt 67.46 48.51 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.835 HG22 ' O ' ' A' ' 18' ' ' LEU . 34.5 m -127.57 -29.82 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.859 HD22 ' CE1' ' A' ' 28' ' ' HIS . 89.7 mt -131.36 147.35 65.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.585 0.707 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.454 ' HG2' ' CB ' ' A' ' 28' ' ' HIS . 53.8 Cg_endo -69.75 156.52 63.16 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.733 2.289 . . . . 0.0 112.331 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.6 p -66.27 -28.73 68.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -106.01 21.86 16.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.859 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.3 t-160 -49.31 176.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -87.26 -21.63 25.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.0 m -72.26 -22.27 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.4 p -77.67 -15.96 58.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.5 m95 -67.84 129.45 39.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -52.53 -25.18 9.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 m -73.3 -35.49 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.46 166.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -144.52 160.53 40.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.637 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 3.3 m -38.29 -38.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.71 ' CE1' HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -60.45 -57.59 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -40.66 -58.59 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 18' ' ' LEU . 47.2 tp -66.0 -27.4 68.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.509 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . . . -77.46 -22.68 51.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -76.07 -51.65 11.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.409 ' CG2' ' HG ' ' A' ' 44' ' ' LEU . 2.7 t -53.87 -25.17 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.409 ' HG ' ' CG2' ' A' ' 43' ' ' THR . 10.3 mt -102.57 -18.59 15.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -55.55 -39.9 71.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.49 ' OD2' ' CE ' ' A' ' 73' ' ' MET . 41.1 m-20 -80.94 14.52 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.77 30.1 0.9 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.447 HG23 ' CB ' ' A' ' 46' ' ' ASP . 65.6 t -80.69 -54.75 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.52 HD21 ' HB ' ' A' ' 23' ' ' VAL . 22.3 tp -77.84 -45.35 24.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 49' ' ' LEU . 11.1 mt -34.55 -58.92 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.3 m -56.13 -40.22 73.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 49' ' ' LEU . 24.8 mt-30 -60.33 -45.08 94.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.1 tp -42.74 -55.36 3.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.737 HD12 HD11 ' A' ' 62' ' ' ILE . 52.8 mt -62.01 -44.45 96.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 62' ' ' ILE . 71.5 m-20 -59.19 -23.66 62.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -78.34 -49.21 14.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.604 ' HB3' HG22 ' A' ' 127' ' ' ILE . 20.3 mt -64.17 -53.35 50.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.632 ' HB2' HG21 ' A' ' 127' ' ' ILE . 13.6 ttt180 -118.27 157.71 26.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.07 148.95 21.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.0 m170 61.7 25.32 15.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -70.9 -47.02 61.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.737 HD11 HD12 ' A' ' 54' ' ' LEU . 68.9 mt -147.59 130.43 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -80.66 111.22 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.452 HD23 HD11 ' A' ' 67' ' ' ILE . 86.3 mt -49.18 -36.9 20.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 12.8 mptt -62.36 -38.52 89.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.86 -23.52 67.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.653 ' CG2' HG21 ' A' ' 84' ' ' THR . 27.0 pt -104.97 127.71 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.411 ' CB ' HD22 ' A' ' 77' ' ' LEU . 24.8 m-80 -74.11 101.21 3.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 mt -80.71 138.72 36.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.429 ' N ' ' CD ' ' A' ' 71' ' ' PRO . 23.8 ttt180 74.41 54.99 0.26 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 70' ' ' ARG . 54.0 Cg_endo -69.76 0.85 5.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.721 2.281 . . . . 0.0 112.351 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 43.99 39.08 2.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.49 ' CE ' ' OD2' ' A' ' 46' ' ' ASP . 6.9 mmt 68.39 49.34 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.424 ' CB ' HD12 ' A' ' 77' ' ' LEU . 23.3 t -98.77 122.27 41.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 46.8 tt0 -52.17 -54.81 26.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.943 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -54.94 -71.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.424 HD12 ' CB ' ' A' ' 74' ' ' SER . 29.5 mt -44.48 -55.78 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 46.1 t -46.49 -68.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 28.6 mt -45.99 -43.51 14.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.4 ' HE3' ' ND2' ' A' ' 68' ' ' ASN . 0.5 OUTLIER -58.04 -56.56 20.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 82' ' ' ILE . 70.8 m-20 -49.42 -62.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 81' ' ' ASN . 90.5 mt -33.95 -55.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 86' ' ' LEU . 16.1 mtt-85 -57.71 -55.43 35.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.653 HG21 ' CG2' ' A' ' 67' ' ' ILE . 86.2 m -39.35 -32.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -82.6 -39.66 21.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 83' ' ' ARG . 73.1 mt -60.96 -36.54 79.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.564 ' CG2' ' N ' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -66.52 -47.36 73.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.117 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.564 ' N ' ' CG2' ' A' ' 87' ' ' THR . . . -57.66 -30.04 65.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 3.7 m -65.98 -15.8 63.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 21.9 t -120.31 -20.58 7.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -93.22 -45.29 7.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.3 m -82.44 -52.86 6.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.402 ' CE2' HD11 ' A' ' 122' ' ' LEU . 6.1 m-85 -87.24 -56.99 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 99.17 56.89 0.98 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 70.2 mtp -102.45 179.1 4.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -78.56 105.16 9.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -53.44 -19.95 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.0 t -69.09 -31.0 69.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -76.73 -35.65 57.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 73.7 mt -49.07 160.47 0.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.545 ' CE1' HG13 ' A' ' 115' ' ' VAL . 36.3 p90 -94.1 159.88 14.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.63 179.37 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.01 -25.51 15.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -84.81 -49.59 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -38.57 -43.32 0.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.9 tp -75.89 -51.48 12.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 75' ' ' GLN . 17.3 t80 -51.26 -62.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -74.19 3.66 6.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.71 HG21 ' CE1' ' A' ' 38' ' ' PHE . 43.2 t 48.37 43.54 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -69.1 -60.92 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -133.61 97.3 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.539 ' CD2' HD11 ' A' ' 116' ' ' ILE . 41.3 t80 -69.26 -38.41 78.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.78 -45.55 13.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -56.3 -30.82 63.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.545 HG13 ' CE1' ' A' ' 101' ' ' PHE . 19.5 t -77.38 -38.78 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.539 HD11 ' CD2' ' A' ' 112' ' ' PHE . 45.2 mt -64.22 -36.4 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -56.62 -51.38 68.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 98.3 m -44.45 -50.49 9.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.6 mt -55.86 -55.99 25.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.498 ' HA ' ' CE1' ' A' ' 136' ' ' PHE . 28.8 t -41.13 -41.71 1.83 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -75.01 -50.29 17.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.402 HD11 ' CE2' ' A' ' 93' ' ' PHE . 18.3 tp -42.19 -49.73 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.406 ' HA ' ' CB ' ' A' ' 128' ' ' ALA . 54.5 p -40.7 -44.19 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.408 ' CG ' ' N ' ' A' ' 125' ' ' THR . 26.2 ptt180 -45.18 -42.41 9.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.408 ' N ' ' CG ' ' A' ' 124' ' ' ARG . 71.6 p -43.36 145.94 0.97 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 111.083 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 0.3 5.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.632 HG21 ' HB2' ' A' ' 58' ' ' ARG . 5.2 mp -95.07 -39.59 10.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.406 ' CB ' ' HA ' ' A' ' 123' ' ' SER . . . -71.65 -48.57 46.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 42.0 mt -63.98 -36.04 82.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.82 -50.67 5.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 37.7 p -49.68 -33.34 15.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 104.98 11.83 29.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 53.1 mt -75.38 140.25 17.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 0.0 111.132 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 62.0 mmt-85 -65.5 137.68 96.61 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 143.12 49.52 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.498 ' CE1' ' HA ' ' A' ' 120' ' ' SER . 3.0 p90 -130.51 123.68 20.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.688 0.756 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -178.55 2.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.459 ' HB3' ' CB ' ' A' ' 120' ' ' SER . 70.9 p -122.12 139.09 54.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 100.11 167.43 29.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -0.78 7.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.0 t -44.51 134.72 5.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 36.0 p -56.79 148.22 21.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.463 -179.976 . . . . . . . . 0 0 . 1 stop_ save_