data_2exd_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 2exd _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 ' 84' ' ' THR . . . . . 0.477 ' CG2' ' HG2' ' A' ' 86' ' ' GLU . 1.8 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.82 0.343 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 40.73 49.34 2.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.477 ' HG2' ' CG2' ' A' ' 84' ' ' THR . 23.4 pt-20 -125.27 -24.39 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.425 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -39.27 -34.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.886 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.18 112.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.53 -30.55 10.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -72.56 160.98 31.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.7 t -105.67 129.9 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.17 165.33 14.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.9 140.87 43.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.347 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.452 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 4.7 m -83.17 102.74 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.45 HG22 ' CG ' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -83.18 -20.68 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -166.09 149.5 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.471 HG21 ' CD2' ' A' ' 102' ' ' TYR . 5.3 mp -128.17 145.31 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -156.55 130.27 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.86 -53.72 3.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -55.41 -35.55 65.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -174.78 152.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.557 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.1 m-85 -103.71 151.67 22.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.953 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -109.5 103.21 12.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.5 t -109.02 109.37 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -73.18 99.98 2.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.556 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 39.3 t -108.76 136.1 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 106' ' ' VAL . 3.8 pt-20 51.36 25.0 2.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.73 29.07 33.24 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -146.15 125.87 13.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.45 ' CG ' HG22 ' A' ' 95' ' ' VAL . 10.5 mtmm -71.57 116.15 11.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.556 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 91.4 m95 -100.43 179.03 4.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.5 91.23 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -116.79 166.06 12.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.557 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -136.04 130.07 32.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t -119.93 132.4 55.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.18 -20.41 64.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.34 111.21 23.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -39.46 125.62 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.487 HD12 ' CD2' ' A' ' 102' ' ' TYR . 8.7 mt -97.88 172.55 7.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.449 ' CB ' ' OD2' ' A' ' 123' ' ' ASP . 0.7 OUTLIER -123.89 137.78 54.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.5 mt -47.62 120.05 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 93.02 5.76 63.84 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.452 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 63.5 m-20 -77.47 131.74 38.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.8 mtm-85 -79.4 132.18 36.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.466 ' CG2' ' HB ' ' A' ' 137' ' ' VAL . 9.3 m -141.0 143.47 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 36.6 ttp -109.05 133.69 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 86.4 t -67.75 114.85 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 129' ' ' ASP . 6.7 p -77.62 -35.95 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.463 ' N ' HG13 ' A' ' 128' ' ' VAL . 3.2 t70 -163.25 156.26 18.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 18.9 t -125.83 122.83 62.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.22 44.51 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.05 -91.47 0.9 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.466 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 22.2 mt -103.15 3.55 35.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -124.67 141.56 52.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.508 HD23 ' CD2' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -136.8 108.54 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.73 126.13 26.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.466 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 35.3 m -109.01 143.7 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -131.24 117.63 19.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -46.9 135.11 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 36.0 pt . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 111.103 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.799 0.333 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.545 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 3.0 t80 61.51 41.4 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 87' ' ' LEU . 57.4 mm-40 -124.45 -22.7 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.494 HD13 ' CZ2' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -34.95 -36.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 86' ' ' GLU . 18.5 tttt -48.59 115.44 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.47 -32.19 6.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.508 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -66.93 155.66 37.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.3 t -107.1 140.23 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.84 175.72 19.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -116.31 121.32 41.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.462 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 4.5 m -63.51 106.76 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.4 HG21 ' CD ' ' A' ' 110' ' ' LYS . 19.6 m -81.82 -19.55 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.402 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 20.8 ttpt -173.02 163.19 4.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.57 HG22 ' CD2' ' A' ' 102' ' ' TYR . 21.2 mt -133.19 142.99 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.79 134.6 15.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -47.54 -50.3 24.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -60.14 -33.47 72.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -174.18 159.29 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.57 ' CD2' HG22 ' A' ' 97' ' ' ILE . 1.3 m-85 -109.65 154.13 23.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -110.65 110.19 20.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -117.57 122.32 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -83.76 113.25 20.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.488 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 58.9 t -120.44 116.32 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 62.85 27.5 16.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.29 27.27 40.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 7.9 m-20 -145.58 114.53 6.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.4 ' CD ' HG21 ' A' ' 95' ' ' VAL . 14.8 mtmm -63.75 136.76 57.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.531 ' CE3' HD21 ' A' ' 135' ' ' LEU . 81.8 m95 -117.87 177.08 4.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.4 mp -116.53 93.06 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -121.34 164.85 16.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.566 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.0 p90 -135.2 126.98 29.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.1 t -123.13 128.58 50.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.05 -27.34 65.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -88.64 115.56 26.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -52.68 97.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 97' ' ' ILE . 42.8 mt -66.96 -177.74 0.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.3 134.91 31.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' A' ' 96' ' ' LYS . 4.6 mm? -44.81 121.29 2.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 93.57 4.81 63.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.537 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.462 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 41.7 m-20 -82.7 122.54 28.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -72.45 127.01 31.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 34.7 m -131.37 164.58 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.165 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 51.0 ttm -130.31 142.84 50.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 38.3 t -75.81 103.57 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.2 p -78.78 -16.29 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -175.28 152.68 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.2 p -164.2 134.31 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -128.74 50.5 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 133.93 -98.16 0.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 29.0 mt -115.48 -1.29 12.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -108.63 99.8 9.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.531 HD21 ' CE3' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -105.9 105.86 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -57.97 114.93 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.5 m -102.73 150.16 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -139.24 134.24 32.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -57.97 122.76 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.0 pt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 111.139 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 85' ' ' PHE . 10.0 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.79 0.328 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.0 t80 37.18 41.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -123.21 -18.45 6.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.44 -40.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -46.66 120.64 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.29 -31.43 5.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -71.13 151.62 44.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.353 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.428 HG22 ' N ' ' A' ' 92' ' ' GLY . 6.6 p -109.31 137.77 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.428 ' N ' HG22 ' A' ' 91' ' ' VAL . . . -123.78 -164.63 12.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -131.19 130.06 42.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.449 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 2.8 m -65.43 103.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 105' ' ' GLU . 34.7 m -77.01 -30.37 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.186 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 6.4 tttp -170.68 160.06 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.537 HG23 ' CD2' ' A' ' 102' ' ' TYR . 44.0 mt -124.21 148.79 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.444 ' N ' HG22 ' A' ' 97' ' ' ILE . . . -142.03 156.83 45.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -63.41 -46.15 87.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.49 -36.07 82.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.662 ' CD2' ' CG2' ' A' ' 112' ' ' ILE . 3.1 t60 -169.05 -175.56 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.537 ' CD2' HG23 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -118.13 152.89 34.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -106.58 116.35 31.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -121.1 121.89 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.459 ' HB2' ' CG1' ' A' ' 95' ' ' VAL . 10.5 tt0 -87.68 106.72 18.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.55 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 41.3 t -109.77 119.39 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 62.27 30.93 17.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.03 30.13 48.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -145.72 123.99 12.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -62.24 142.85 57.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.55 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 90.7 m95 -134.31 172.04 13.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.662 ' CG2' ' CD2' ' A' ' 101' ' ' HIS . 4.5 mp -109.5 100.08 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.607 ' O ' ' CD2' ' A' ' 101' ' ' HIS . . . -122.5 153.66 38.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.568 ' HB3' ' CE1' ' A' ' 101' ' ' HIS . 0.6 OUTLIER -119.74 129.12 54.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 p -117.86 134.41 54.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -75.11 -18.83 60.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 118' ' ' LYS . 30.3 mt-10 -117.37 111.57 19.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 117' ' ' GLU . 9.0 ptpp? -37.67 105.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.0 mt -74.36 173.31 10.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.414 ' CB ' ' OD2' ' A' ' 123' ' ' ASP . 0.7 OUTLIER -123.26 135.16 54.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 34.3 mt -47.41 120.73 3.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 97.97 3.69 57.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.544 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.449 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 78.2 m-20 -84.18 133.31 34.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -82.37 136.12 35.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.455 ' CG2' ' HB ' ' A' ' 137' ' ' VAL . 29.8 m -141.92 144.81 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 31.1 ttp -109.13 134.39 51.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.43 121.66 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.5 p -84.9 -35.53 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -162.94 145.69 10.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' A' ' 135' ' ' LEU . 75.7 t -111.6 118.36 57.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.49 48.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 97.91 -109.06 3.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 133' ' ' LEU . 4.5 mm? -87.57 6.84 32.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -132.25 149.14 52.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 130' ' ' VAL . 0.1 OUTLIER -142.77 112.97 7.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -60.62 132.22 53.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.455 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 26.8 m -118.24 137.64 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -124.16 122.44 37.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -45.93 135.93 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 31.6 pt . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.731 . . . . 0.0 111.121 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.831 0.348 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.0 t80 59.22 43.78 16.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 88' ' ' LYS . 20.5 mt-10 -125.17 -26.52 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -32.9 -35.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 86' ' ' GLU . 12.5 tptp -41.48 109.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.94 -37.22 3.7 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -62.52 154.47 28.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.1 t -100.13 135.65 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.98 160.19 13.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.535 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.24 133.91 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 123' ' ' ASP . 92.9 t -72.28 95.99 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.463 HG22 ' N ' ' A' ' 96' ' ' LYS . 19.6 m -78.31 -42.62 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.471 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 22.6 tttp -156.22 170.33 22.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.57 HG21 ' CD2' ' A' ' 102' ' ' TYR . 18.5 mt -142.0 135.91 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.456 ' N ' HG23 ' A' ' 97' ' ' ILE . . . -139.19 146.3 40.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -57.3 -47.76 80.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.68 -32.91 74.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.426 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 9.6 p-80 -170.02 163.9 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.57 ' CD2' HG21 ' A' ' 97' ' ' ILE . 1.3 m-85 -110.61 152.46 26.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 27.4 mt -108.22 115.34 29.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.468 HG11 ' CG2' ' A' ' 125' ' ' VAL . 1.1 t -122.15 136.4 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -100.98 103.25 14.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.6 t -108.83 129.94 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 49.48 31.83 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.16 34.19 42.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.442 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -141.57 136.38 31.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -82.2 123.33 28.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 135' ' ' LEU . 93.7 m95 -117.97 174.5 6.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mp -116.14 94.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.403 ' CB ' HG12 ' A' ' 137' ' ' VAL . . . -110.63 163.14 14.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.523 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.7 p90 -137.49 121.47 17.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.8 m -131.87 110.77 11.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -45.72 -32.0 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.42 112.5 10.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -51.53 111.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.432 ' C ' ' CD1' ' A' ' 97' ' ' ILE . 53.6 mt -87.45 -175.77 5.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.952 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.407 ' N ' HD11 ' A' ' 97' ' ' ILE . 0.7 OUTLIER -142.59 151.78 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 30.6 mt -59.62 136.62 58.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.35 1.9 88.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.464 ' HB3' ' CG2' ' A' ' 94' ' ' VAL . 25.8 t0 -74.89 175.34 8.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -121.18 131.46 54.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.468 ' CG2' HG11 ' A' ' 104' ' ' VAL . 21.9 m -140.71 134.39 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.425 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 25.4 ttm -103.53 149.6 24.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.425 ' N ' ' HG2' ' A' ' 126' ' ' MET . 69.9 t -82.07 122.34 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.473 HG11 ' N ' ' A' ' 129' ' ' ASP . 14.6 p -98.48 -27.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.473 ' N ' HG11 ' A' ' 128' ' ' VAL . 4.9 m-20 -157.42 146.01 19.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.467 HG21 ' CD2' ' A' ' 135' ' ' LEU . 43.1 t -127.41 121.02 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -108.56 25.63 11.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 118.04 -102.55 0.98 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.43 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.6 tp -86.12 -10.43 54.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.883 0.373 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -115.63 138.89 50.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.467 ' CD2' HG21 ' A' ' 130' ' ' VAL . 0.2 OUTLIER -131.52 105.78 7.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -55.87 108.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.403 HG12 ' CB ' ' A' ' 113' ' ' ALA . 6.2 m -104.26 149.5 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -123.69 152.43 42.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -67.38 119.28 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 12.2 pt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 111.097 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.433 ' CG2' HD13 ' A' ' 87' ' ' LEU . 10.0 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.782 0.325 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.3 t80 47.18 40.74 10.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 87' ' ' LEU . 22.2 mt-10 -123.89 -26.14 4.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.503 ' HG ' ' CE2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -35.96 -34.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -50.06 98.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.849 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.22 -29.81 7.13 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.533 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -73.55 167.48 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 92' ' ' GLY . 66.2 t -106.96 138.4 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.447 ' N ' HG13 ' A' ' 91' ' ' VAL . . . -124.38 157.48 18.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -103.03 121.26 42.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.44 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 4.5 m -65.85 88.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.2 m -66.81 -32.5 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 41.5 tttt -155.57 165.92 35.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.469 HG21 ' N ' ' A' ' 98' ' ' ALA . 21.2 mt -137.9 137.62 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.469 ' N ' HG21 ' A' ' 97' ' ' ILE . . . -146.15 134.6 21.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -44.6 -52.99 7.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.7 -39.99 74.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' ALA . 40.3 p-80 -168.44 162.35 12.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.503 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -108.97 143.87 37.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.11 109.31 22.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -116.96 129.16 73.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -94.82 105.31 17.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.431 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 23.2 t -110.71 125.02 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 57.65 30.05 18.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.53 27.35 57.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.454 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -141.49 127.92 20.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -65.64 142.55 58.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.504 ' CE3' HD12 ' A' ' 135' ' ' LEU . 89.2 m95 -133.95 172.78 12.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 112' ' ' ILE . 5.1 mp -114.8 93.56 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -112.18 150.39 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.472 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 1.7 p90 -122.13 121.7 37.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.0 m -127.61 107.66 10.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -54.36 -28.89 46.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -81.09 111.03 17.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.4 113.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 76.1 mt -91.92 163.14 14.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.48 134.74 54.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 10.3 mt -53.56 121.6 8.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.57 5.5 58.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.531 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.44 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -80.35 146.26 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.861 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -92.91 120.08 32.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.6 160.85 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 43.3 ttm -125.58 131.21 52.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 135' ' ' LEU . 59.5 t -67.0 126.87 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.458 HG11 ' N ' ' A' ' 129' ' ' ASP . 7.3 p -103.73 -32.59 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.458 ' N ' HG11 ' A' ' 128' ' ' VAL . 2.1 t70 -146.81 144.97 29.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 135' ' ' LEU . 11.9 t -133.63 119.23 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -103.63 28.6 6.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 110.69 -107.73 2.29 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.2 tp -83.22 20.16 1.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.928 0.394 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.66 138.39 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.6 ' CD1' ' N ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -142.32 148.02 37.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 137' ' ' VAL . 9.6 tmtt? -84.79 140.29 31.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.466 ' N ' ' HD3' ' A' ' 136' ' ' LYS . 17.1 m -121.29 145.21 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -115.38 129.43 56.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -59.56 121.18 10.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 46.9 pt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 111.14 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.842 0.353 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.516 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.7 t80 49.89 42.86 24.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 87' ' ' LEU . 10.4 mm-40 -124.91 -24.61 4.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -34.42 -41.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.85 114.74 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.85 -33.95 6.17 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -72.43 168.07 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 44.0 t -112.01 138.62 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.4 171.22 16.57 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -117.28 126.68 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.326 . . . . 0.0 110.953 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.45 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 4.2 m -68.18 102.22 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.4 m -81.86 -24.22 9.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 27.2 tttp -166.63 152.35 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.44 HG22 ' CD2' ' A' ' 102' ' ' TYR . 4.6 mp -123.99 138.66 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -144.65 133.1 21.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -46.22 -50.24 16.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -60.89 -38.01 84.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -168.51 156.76 8.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.57 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.2 m-85 -102.47 149.44 24.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.0 mt -104.0 102.89 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -112.12 118.65 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -85.76 111.89 20.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 62.3 t -113.26 132.69 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 45.03 32.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.16 32.69 47.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.445 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 3.0 m-20 -145.65 117.61 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -64.25 141.66 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.513 ' CG ' HD13 ' A' ' 135' ' ' LEU . 95.7 m95 -131.13 173.44 11.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.952 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.08 93.14 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -124.16 163.59 21.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.57 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 5.2 p90 -138.19 135.32 35.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.5 m -130.63 114.38 15.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.24 -27.82 1.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -79.76 116.8 20.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -53.34 98.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.9 mt -77.81 168.37 20.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 m -128.44 140.16 51.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 16.7 mt -53.0 120.73 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 98.79 7.32 55.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.45 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 1.0 OUTLIER -91.29 134.88 34.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 110.864 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -80.61 141.95 34.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 31.9 m -145.96 154.96 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 33.0 ttm -121.85 143.46 49.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.21 117.56 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.459 HG11 ' N ' ' A' ' 129' ' ' ASP . 8.6 p -93.57 -26.44 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.459 ' N ' HG11 ' A' ' 128' ' ' VAL . 11.1 t70 -156.58 162.32 39.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 79.3 t -144.87 144.89 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -127.64 19.49 6.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 120.87 -81.76 0.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.44 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.8 tp -101.95 -6.9 22.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.921 0.391 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.44 145.58 37.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.513 HD13 ' CG ' ' A' ' 111' ' ' TRP . 0.3 OUTLIER -135.01 91.51 2.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -53.04 103.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 16.4 m -101.0 155.22 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.123 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -138.03 145.8 42.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.431 ' NH1' ' O ' ' A' ' 140' ' ' ILE . 26.0 tpt85 -57.99 127.08 30.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.431 ' O ' ' NH1' ' A' ' 139' ' ' ARG . 36.6 pt . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.628 0.728 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.823 0.344 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.2 t80 59.94 38.73 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 87' ' ' LEU . 25.4 mm-40 -124.34 -15.74 6.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.438 HD12 ' CZ2' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -37.22 -35.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.98 109.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.03 -36.96 3.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -61.81 158.14 16.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.9 t -111.59 129.06 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.3 -162.32 13.5 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -140.72 120.52 13.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.43 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 9.0 m -58.76 118.99 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.8 m -98.66 -43.06 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -146.59 155.16 42.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.512 HG23 ' CD2' ' A' ' 102' ' ' TYR . 19.6 mt -124.42 146.94 29.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -159.25 130.98 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.61 -48.61 10.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.92 -36.71 77.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -173.05 160.62 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.558 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.0 OUTLIER -109.46 145.91 35.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.861 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 26.9 mt -101.23 118.36 36.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.3 t -126.02 120.42 56.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -85.77 106.57 17.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.545 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 38.6 t -105.12 131.22 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 43.6 37.8 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.98 33.47 57.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.525 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 3.8 m-20 -145.92 117.36 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -57.94 147.0 30.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.545 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 96.7 m95 -141.33 174.24 10.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 44.4 mm -118.94 100.01 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.422 ' CB ' HG13 ' A' ' 137' ' ' VAL . . . -120.26 158.68 26.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.558 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.1 p90 -131.18 126.09 34.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.8 t -119.96 131.95 55.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -66.82 -25.09 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 118' ' ' LYS . 12.4 pt-20 -101.71 114.27 28.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 117' ' ' GLU . 39.6 mtmt -37.1 113.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.408 ' C ' HD13 ' A' ' 97' ' ' ILE . 67.2 mt -81.85 -175.17 5.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.51 -174.81 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 78.3 mt -108.59 119.59 39.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 93.23 -1.07 69.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.553 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.43 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 4.6 t70 -73.79 165.91 24.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -104.47 125.33 50.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.2 m -131.92 159.16 43.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 35.0 ttm -126.87 145.26 50.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 135' ' ' LEU . 59.4 t -69.2 109.39 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.463 ' CG2' ' HE3' ' A' ' 138' ' ' LYS . 13.2 p -77.81 -36.66 22.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.433 ' N ' HG12 ' A' ' 128' ' ' VAL . 1.4 t70 -160.54 142.47 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.9 p -149.46 137.58 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -124.8 11.07 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 168.22 -96.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.9 tt -108.75 3.95 23.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -116.24 100.46 7.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -107.15 79.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 135' ' ' LEU . 47.5 tttm -33.48 126.28 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.422 HG13 ' CB ' ' A' ' 113' ' ' ALA . 35.0 m -106.61 141.59 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.463 ' HE3' ' CG2' ' A' ' 128' ' ' VAL . 4.2 mtmp? -128.66 141.41 51.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -63.82 118.82 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 18.4 pt . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.642 0.734 . . . . 0.0 111.127 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.801 0.334 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.527 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 3.2 t80 50.02 46.25 24.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 87' ' ' LEU . 52.0 mt-10 -124.97 -22.46 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -33.8 -38.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 86' ' ' GLU . 8.4 tptm -43.32 106.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.52 -36.04 4.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.67 151.72 41.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.5 p -108.66 138.5 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.11 178.49 17.5 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -114.02 132.5 55.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.44 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 3.1 m -69.88 93.56 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 96' ' ' LYS . 33.6 m -64.99 -37.57 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 19.8 tttm -153.37 151.13 29.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.513 HG21 ' CD2' ' A' ' 102' ' ' TYR . 21.9 mt -123.52 140.08 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.37 131.73 13.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -44.26 -50.98 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.66 -37.88 76.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -169.16 157.39 7.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.513 ' CD2' HG21 ' A' ' 97' ' ' ILE . 1.2 m-85 -109.42 141.58 41.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.0 mt -99.39 106.32 18.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.5 t -114.6 120.29 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.41 117.1 22.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.508 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 46.2 t -126.26 127.33 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 53.03 37.92 25.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.73 29.27 71.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.41 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 2.5 m-20 -144.11 113.8 7.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -59.91 138.38 57.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.508 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 91.9 m95 -126.01 170.58 11.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 18.4 mt -115.22 94.74 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -111.18 161.33 16.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.507 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.2 p90 -131.46 121.63 24.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.967 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.7 t -125.74 119.97 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -59.59 -23.48 62.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -86.88 114.74 23.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -50.19 101.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 97' ' ' ILE . 37.4 mt -78.28 178.36 7.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.79 136.31 47.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 17.6 mt -48.53 120.35 3.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.59 4.81 59.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.44 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 48.0 m-20 -79.61 133.43 36.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -78.88 124.26 28.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.2 m -133.47 142.2 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 36.3 ttp -109.34 142.2 40.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.453 HG22 ' CD1' ' A' ' 135' ' ' LEU . 40.8 t -67.45 118.07 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.416 ' CG1' ' CB ' ' A' ' 136' ' ' LYS . 14.6 p -89.21 -20.87 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -172.67 149.44 2.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 62.6 t -122.74 136.99 57.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.9 23.33 6.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 106.51 -100.14 1.58 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.1 mt -91.4 29.32 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 110.93 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -169.21 135.41 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -140.32 131.47 26.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.416 ' CB ' ' CG1' ' A' ' 128' ' ' VAL . 23.6 mtpp -69.61 133.0 47.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.465 HG12 ' CB ' ' A' ' 113' ' ' ALA . 35.2 m -118.57 129.43 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -107.93 132.5 53.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -60.14 122.15 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 30.6 pt . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.633 0.73 . . . . 0.0 111.131 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.843 0.354 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.457 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 56.02 40.43 30.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 87' ' ' LEU . 79.7 mm-40 -126.16 -24.96 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.489 HD11 ' N ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -32.44 -40.36 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -44.4 113.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.15 -35.25 5.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.495 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.3 150.12 43.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.1 p -99.91 138.09 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.98 175.37 16.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -117.3 123.05 45.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.937 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.418 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 3.3 m -63.92 117.28 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.9 m -101.04 -14.21 8.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 103' ' ' LEU . 21.4 tptm -163.64 161.98 23.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.573 HG23 ' CD1' ' A' ' 102' ' ' TYR . 5.3 mp -143.01 138.26 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 99' ' ' GLU . . . -150.39 129.5 12.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' ALA . 9.0 tt0 -38.18 -56.72 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -54.66 -42.35 71.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 112' ' ' ILE . 10.1 p-80 -168.09 145.92 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.573 ' CD1' HG23 ' A' ' 97' ' ' ILE . 4.6 m-30 -96.46 163.73 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.469 ' CB ' ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -116.39 111.63 20.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -119.96 123.58 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -84.34 128.93 34.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.557 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 43.1 t -126.67 131.48 71.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 39.05 41.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.59 32.04 62.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.599 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 64.9 m-20 -142.79 111.72 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -57.51 142.54 43.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 109' ' ' ASP . 99.6 m95 -140.07 149.8 43.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 101' ' ' HIS . 4.1 mp -99.14 98.52 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -115.69 166.33 12.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.037 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 114' ' ' TYR . 1.5 p90 -139.44 125.22 19.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -126.39 126.6 44.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -53.46 -24.31 12.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.48 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 6.6 pt-20 -95.09 115.54 27.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -56.67 117.74 4.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.9 mt -91.64 -176.57 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.93 138.42 46.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 59.4 mt -44.17 117.36 1.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.11 0.29 56.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.418 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 34.8 m-20 -75.59 132.32 40.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.77 0.319 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 40.7 mtm-85 -81.38 134.57 35.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 28.2 m -142.37 146.31 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 14.0 ttm -106.22 131.42 53.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.17 108.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.3 -38.96 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -167.15 150.59 6.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.428 HG11 ' N ' ' A' ' 131' ' ' ASP . 97.8 t -122.59 135.56 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.428 ' N ' HG11 ' A' ' 130' ' ' VAL . 6.2 t70 -121.58 -11.82 8.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 157.56 -100.01 0.19 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 133' ' ' LEU . 4.2 mm? -99.16 17.65 19.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -153.71 106.04 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -110.91 136.99 49.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -67.53 148.68 51.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 20.1 m -136.82 133.85 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -124.52 125.26 43.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -50.81 135.3 24.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 30.5 pt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.631 0.729 . . . . 0.0 111.109 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.853 0.359 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.5 t80 51.73 39.19 24.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 87' ' ' LEU . 44.2 mt-10 -123.64 -20.28 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.542 HD11 ' CZ2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -33.93 -39.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.933 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 127' ' ' VAL . 5.8 ttpm? -48.28 133.68 15.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.32 -31.0 2.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -75.53 158.55 32.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.7 p -111.17 136.93 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.24 -178.37 15.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -122.87 115.95 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.453 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 14.6 m -57.45 114.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.416 HG22 ' N ' ' A' ' 96' ' ' LYS . 34.7 m -87.69 -29.99 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 22.3 tttt -162.83 155.53 19.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.492 HG22 ' CD2' ' A' ' 102' ' ' TYR . 5.1 mp -125.26 143.77 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.95 152.83 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -63.86 -42.19 97.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -71.99 -31.65 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.513 ' CD2' HD12 ' A' ' 112' ' ' ILE . 54.1 p-80 -168.02 176.93 5.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.492 ' CD2' HG22 ' A' ' 97' ' ' ILE . 1.6 m-85 -120.09 143.49 48.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -101.22 106.88 18.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.7 t -113.1 153.5 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -118.23 115.04 23.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.513 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 63.2 t -120.14 123.33 70.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 48.72 36.88 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.6 37.93 57.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.446 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 27.4 m-20 -145.68 117.56 8.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -63.37 135.95 57.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.542 ' CZ2' HD11 ' A' ' 87' ' ' LEU . 99.4 m95 -131.07 146.43 52.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.513 HD12 ' CD2' ' A' ' 101' ' ' HIS . 41.4 mm -93.22 91.82 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.183 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -109.58 165.73 11.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.454 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.1 p90 -143.08 121.62 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 72.5 m -134.25 144.66 48.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -85.0 -17.9 36.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.23 118.85 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -49.14 97.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 72.5 mt -82.23 172.94 12.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.35 134.5 36.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 24.8 mt -48.37 118.94 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 89.46 11.95 63.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.453 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 15.7 t0 -82.62 149.59 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -88.15 130.05 35.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 32.7 m -140.66 147.83 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 29.4 ttm -113.0 129.62 56.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 68.9 t -62.7 127.0 22.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.409 HG11 ' N ' ' A' ' 129' ' ' ASP . 5.9 p -91.3 -30.66 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.409 ' N ' HG11 ' A' ' 128' ' ' VAL . 11.5 t0 -164.53 155.89 15.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 64.5 t -130.89 111.8 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -95.59 23.15 6.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 116.6 -97.73 0.77 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.9 mp -96.54 9.8 40.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -141.19 119.33 12.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -122.37 128.45 50.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -74.25 137.34 42.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.7 m -114.24 140.15 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -122.62 118.16 27.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -44.55 130.51 6.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 49.6 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.666 0.746 . . . . 0.0 111.088 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.813 0.34 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.1 t80 55.11 44.16 28.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 87' ' ' LEU . 75.1 mt-10 -125.88 -26.31 3.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -32.79 -41.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.473 ' CE ' ' HA ' ' A' ' 129' ' ' ASP . 5.7 tppt? -43.74 103.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.22 -34.84 5.44 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -63.93 143.53 57.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.1 t -100.92 132.75 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -126.34 -160.19 10.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.533 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -131.32 151.27 51.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.468 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 15.6 m -87.29 99.64 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.185 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.435 HG21 ' CD ' ' A' ' 110' ' ' LYS . 23.2 m -76.78 -18.71 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.464 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 27.1 tptt -173.95 153.04 2.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.523 HG22 ' CD2' ' A' ' 102' ' ' TYR . 17.9 mt -129.38 140.26 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.36 130.77 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -44.29 -48.93 9.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -58.25 -35.74 72.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 40.0 p-80 -174.4 154.49 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.563 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.2 m-85 -113.63 142.36 46.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.419 ' HB3' ' CG2' ' A' ' 95' ' ' VAL . 4.4 mm? -102.62 109.26 20.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.4 t -114.84 115.61 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -75.37 104.99 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.489 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 26.3 t -115.15 121.67 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 58.19 31.7 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.53 27.72 56.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.4 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 29.1 m-20 -145.04 115.7 7.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.435 ' CD ' HG21 ' A' ' 95' ' ' VAL . 25.3 mtmm -68.06 119.74 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.556 ' CE3' HD21 ' A' ' 135' ' ' LEU . 85.6 m95 -103.64 171.54 7.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mp -111.23 92.68 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -117.17 166.41 12.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.563 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 0.2 OUTLIER -133.16 131.81 40.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.4 m -131.35 107.95 9.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -48.57 -26.21 2.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -85.15 114.02 21.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -48.06 115.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.4 mt -90.48 171.68 9.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.02 135.01 54.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 62.6 mt -56.51 126.29 25.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 92.31 -0.04 71.11 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.468 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 10.5 t70 -84.67 146.63 27.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.347 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.06 154.5 18.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.47 ' CG2' ' HB ' ' A' ' 137' ' ' VAL . 34.6 m -154.01 157.17 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ttp -113.0 138.29 50.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.432 ' CG1' HG23 ' A' ' 130' ' ' VAL . 69.9 t -73.29 105.33 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.21 -41.68 87.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.473 ' HA ' ' CE ' ' A' ' 88' ' ' LYS . 35.5 t0 -159.46 149.22 18.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.432 HG23 ' CG1' ' A' ' 127' ' ' VAL . 99.1 t -120.13 116.5 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -105.12 45.49 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 106.59 -113.3 4.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.436 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.26 1.71 43.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -119.46 161.85 19.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.556 HD21 ' CE3' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -160.13 107.74 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -58.37 129.2 40.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.47 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 26.9 m -114.96 135.46 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -114.41 133.49 55.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.9 tpt85 -62.03 122.81 16.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 34.0 pt . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 111.175 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.829 0.347 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.504 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.8 t80 50.67 41.31 25.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.48 ' O ' ' C ' ' A' ' 87' ' ' LEU . 7.2 mm-40 -126.12 -22.98 3.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -31.42 -44.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -58.62 95.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.02 -31.22 3.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.478 ' HD2' ' CG1' ' A' ' 106' ' ' VAL . 0.5 OUTLIER -90.22 158.89 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.476 HG22 ' N ' ' A' ' 92' ' ' GLY . 5.7 p -110.91 139.1 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.476 ' N ' HG22 ' A' ' 91' ' ' VAL . . . -126.37 -166.28 12.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -126.09 135.97 52.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 123' ' ' ASP . 1.3 m -74.79 118.14 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.1 m -86.16 -30.54 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -164.37 153.44 13.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.459 ' N ' ' HD2' ' A' ' 96' ' ' LYS . 3.9 mp -124.32 143.93 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.61 137.3 21.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -47.72 -51.3 22.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.63 -38.58 81.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -167.68 163.04 14.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.505 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.2 m-85 -109.43 147.24 33.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -106.05 107.66 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.7 t -112.41 143.63 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -110.18 100.53 9.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.478 ' CG1' ' HD2' ' A' ' 90' ' ' LYS . 21.0 t -107.04 130.76 58.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 46.06 44.73 11.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 63.37 37.76 95.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -144.98 128.94 17.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -73.35 136.9 44.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.501 ' CD2' HD23 ' A' ' 135' ' ' LEU . 99.5 m95 -133.6 158.51 43.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 34.9 mm -106.59 90.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -106.48 160.62 15.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.505 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 1.8 p90 -132.83 121.66 23.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.1 t -128.97 118.29 22.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -53.56 -27.75 27.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -83.91 115.0 22.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 pttm -51.99 120.82 5.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.8 mt -99.55 178.94 4.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.421 ' N ' ' OD2' ' A' ' 123' ' ' ASP . 1.2 m -139.08 133.12 31.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.424 HD11 ' CD1' ' A' ' 97' ' ' ILE . 9.9 mp -39.21 124.03 1.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.84 -5.88 64.21 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.43 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.441 ' HB2' ' CG2' ' A' ' 94' ' ' VAL . 24.4 m-20 -66.17 143.03 57.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.443 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 14.7 tpp180 -91.55 130.58 37.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 23.3 m -143.5 146.77 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 19.3 ttm -113.12 122.68 48.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 9.9 t -49.27 131.55 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 136' ' ' LYS . 7.3 p -113.9 -15.47 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -160.62 156.7 26.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 54.1 t -140.89 108.7 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -94.5 27.39 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 96.01 -85.74 0.91 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.543 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.7 tp -86.77 -0.68 56.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.95 0.405 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -140.54 170.82 15.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.501 HD23 ' CD2' ' A' ' 111' ' ' TRP . 0.2 OUTLIER -168.53 126.69 1.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.47 ' HB3' ' CG1' ' A' ' 128' ' ' VAL . 4.2 mmmm -59.06 170.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.5 m -151.58 135.5 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -112.18 124.64 52.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -57.54 120.11 7.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 37.4 pt . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 111.112 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.471 ' CG2' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.425 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 66.49 43.27 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 87' ' ' LEU . 16.7 pt-20 -124.9 -29.58 3.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -31.26 -44.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.58 110.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.24 -36.09 4.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -65.14 159.15 24.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.3 t -104.79 134.02 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.91 160.45 17.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -109.28 125.97 52.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.408 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 3.2 m -66.69 120.55 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.5 m -98.63 -20.38 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.169 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 97' ' ' ILE . 11.8 tmtt? -174.06 147.94 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.466 ' N ' ' HD3' ' A' ' 96' ' ' LYS . 3.8 mp -117.22 147.25 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -153.16 131.04 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -43.02 -52.79 5.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -56.74 -38.17 72.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.548 ' CD2' HD12 ' A' ' 112' ' ' ILE . 57.1 p-80 -173.47 159.36 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.49 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.3 m-85 -102.4 148.98 24.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.29 105.58 15.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 111' ' ' TRP . 1.1 t -112.9 129.96 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -94.41 104.55 16.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.482 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 21.3 t -106.16 130.42 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 47.48 36.42 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.8 30.17 60.05 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.548 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -145.65 118.04 8.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -58.73 149.28 26.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.561 ' CE3' HD11 ' A' ' 135' ' ' LEU . 82.0 m95 -137.07 178.09 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.548 HD12 ' CD2' ' A' ' 101' ' ' HIS . 50.3 mm -121.75 99.32 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 135' ' ' LEU . . . -124.8 160.83 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.49 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 5.6 p90 -133.18 122.03 23.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.0 t -130.52 142.1 50.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.97 -18.71 42.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.82 119.14 19.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -49.47 100.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 42.3 mt -87.09 164.62 16.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 m -139.74 133.28 30.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.1 mp -42.81 112.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.14 0.73 31.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.408 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 3.1 t70 -80.33 143.19 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.835 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -91.3 124.97 35.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.68 149.37 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.403 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 32.4 ttm -111.73 150.48 30.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.431 ' CG1' ' HB2' ' A' ' 135' ' ' LEU . 59.3 t -78.21 100.68 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 138' ' ' LYS . 2.1 t -64.38 -39.11 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -165.08 154.95 13.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.6 p -157.69 127.25 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -103.66 -27.5 12.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.91 -93.38 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.0 tp -108.28 28.16 8.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -140.66 105.12 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.612 ' CD1' ' N ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -109.26 85.47 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -38.67 112.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 16.4 m -107.68 129.47 61.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 128' ' ' VAL . 19.8 mtmm -127.54 151.37 48.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -56.43 132.38 51.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.2 pt . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.624 0.726 . . . . 0.0 111.133 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.789 0.328 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.4 t80 57.16 41.67 26.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 87' ' ' LEU . 5.7 mm-40 -120.18 -22.93 6.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -36.75 -37.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 129.51 42.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.82 -29.47 6.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -71.59 168.05 18.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.427 ' CG1' ' HG2' ' A' ' 124' ' ' ARG . 56.0 t -119.22 124.57 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -118.01 -170.17 14.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.451 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -134.93 128.75 33.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.451 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 4.4 m -58.3 128.85 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.7 m -111.82 -11.28 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 103' ' ' LEU . 10.3 ttpp -173.67 150.67 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.551 HG23 ' CD2' ' A' ' 102' ' ' TYR . 5.2 mp -130.26 140.59 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -153.88 130.84 10.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -43.44 -50.88 6.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.64 -38.13 80.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 48.6 p-80 -168.55 157.8 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.575 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.2 m-85 -108.42 146.62 32.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 96' ' ' LYS . 8.8 tp -103.11 103.46 13.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.3 t -110.17 125.32 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -91.35 105.42 17.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.536 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 70.7 t -106.47 126.49 62.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 50.66 39.62 22.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.95 34.24 65.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -145.7 121.72 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.872 0.368 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -63.76 143.03 58.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.536 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 96.9 m95 -136.19 166.11 24.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mp -111.18 89.85 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -114.88 166.58 11.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.575 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.0 p90 -138.67 130.59 28.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.9 t -121.41 131.1 53.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -27.93 69.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 118' ' ' LYS . 13.7 pt-20 -100.05 110.91 23.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' GLU . 0.3 OUTLIER -35.98 133.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.9 mt -105.99 168.9 8.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.55 143.99 49.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.813 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.99 125.45 23.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 97.22 3.91 58.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.451 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 42.1 m-20 -87.19 131.63 34.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.788 0.328 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.427 ' HG2' ' CG1' ' A' ' 91' ' ' VAL . 18.2 ttt180 -80.51 130.86 35.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 22.5 m -133.89 152.8 35.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 28.7 ttm -118.76 126.45 51.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 46.2 t -54.98 124.56 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.419 ' CG1' ' HB3' ' A' ' 136' ' ' LYS . 14.3 p -93.23 -33.33 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -156.86 145.51 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 135' ' ' LEU . 74.2 t -128.36 137.02 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -119.57 -7.86 10.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 146.34 -100.82 0.23 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.505 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.505 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.2 OUTLIER -79.0 -1.2 34.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.941 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.427 ' HD2' ' C ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -131.24 163.21 28.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.51 HD22 ' CD2' ' A' ' 111' ' ' TRP . 0.3 OUTLIER -165.71 107.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.419 ' HB3' ' CG1' ' A' ' 128' ' ' VAL . 25.9 ttmt -54.39 141.26 31.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 28.2 m -120.78 141.23 42.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -117.15 125.59 51.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -58.76 122.06 12.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 30.5 pt . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.638 0.733 . . . . 0.0 111.084 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.842 0.353 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.472 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 42.47 44.87 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -125.73 -12.66 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.507 HD12 ' CZ2' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -43.3 -37.15 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -45.97 113.79 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.48 -34.99 5.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -74.96 155.67 37.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 125' ' ' VAL . 8.9 p -115.81 137.65 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -120.13 -166.04 13.08 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.51 125.03 39.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.449 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 3.5 m -63.03 100.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.4 m -79.44 -26.76 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -167.52 154.34 8.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.563 HG21 ' CD2' ' A' ' 102' ' ' TYR . 4.3 mp -125.03 137.49 57.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -144.79 131.15 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.089 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -43.73 -52.54 6.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.85 -39.03 76.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -169.42 152.79 4.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.563 ' CD2' HG21 ' A' ' 97' ' ' ILE . 1.5 m-85 -99.81 145.74 27.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -102.81 103.49 13.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.4 t -111.75 127.53 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -90.12 106.1 18.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.536 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 48.0 t -107.65 114.64 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 62.11 31.78 17.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 76.89 33.01 47.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.442 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 37.2 m-20 -145.75 116.12 7.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -58.51 140.71 53.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.536 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 91.6 m95 -130.47 179.25 6.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.467 HD13 ' N ' ' A' ' 112' ' ' ILE . 4.0 mp -122.12 98.31 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -130.56 167.98 17.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.06 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.563 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.4 p90 -131.04 141.48 50.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.1 p -121.16 136.9 54.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -73.0 -20.62 60.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -116.68 111.36 19.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -39.21 101.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.0 mt -68.7 -178.52 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.01 135.04 47.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.7 mt -48.3 121.81 4.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 95.65 4.79 60.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.51 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.449 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 37.8 m-20 -87.67 129.59 35.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -76.32 138.83 40.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 33.7 m -144.4 147.54 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.6 ttp -112.39 144.52 41.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.7 t -66.53 95.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.468 HG22 ' CD ' ' A' ' 138' ' ' LYS . 1.9 t -59.14 -37.47 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -170.42 168.73 7.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.409 ' CG2' HD12 ' A' ' 135' ' ' LEU . 1.4 p -167.25 119.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -88.9 -23.01 22.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.12 -98.71 0.15 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -101.52 -0.94 34.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 0.0 110.924 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.405 ' C ' ' CD1' ' A' ' 135' ' ' LEU . 15.6 mmtm -100.21 118.97 37.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -112.62 93.13 4.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.905 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -53.45 119.19 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.465 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 20.1 m -104.34 135.62 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.468 ' CD ' HG22 ' A' ' 128' ' ' VAL . 20.3 mtpt -133.16 138.52 46.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -50.68 128.49 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 5.5 pt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.656 0.741 . . . . 0.0 111.149 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.827 0.346 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.5 t80 58.58 42.45 20.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 87' ' ' LEU . 6.2 mm-40 -124.91 -24.64 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.513 ' HG ' ' CE2' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -34.49 -41.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.466 ' HA ' ' CG1' ' A' ' 127' ' ' VAL . 7.7 ttpm? -45.75 134.93 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.82 -42.95 3.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -65.44 171.11 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.4 t -117.67 136.66 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.65 178.16 16.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.78 132.15 54.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.463 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 15.3 m -71.88 95.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.4 m -72.08 -26.77 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.46 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 12.9 ttpp -163.67 162.03 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.509 HG23 ' CE2' ' A' ' 102' ' ' TYR . 49.5 mt -137.35 133.41 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.65 138.91 32.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.444 ' C ' ' OE1' ' A' ' 99' ' ' GLU . 1.8 tm-20 -49.33 -50.86 37.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -59.9 -38.19 81.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -167.13 163.01 15.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.509 ' CE2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -113.68 145.92 40.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 103' ' ' LEU . 3.9 mm? -102.92 106.81 17.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.2 t -114.83 121.52 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -87.84 109.94 20.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.483 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 61.3 t -115.16 136.18 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.422 ' N ' HG11 ' A' ' 106' ' ' VAL . 0.3 OUTLIER 44.65 36.65 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.2 34.19 64.52 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -145.71 123.05 11.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.88 0.372 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -62.46 140.99 58.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.513 ' CE2' ' HG ' ' A' ' 87' ' ' LEU . 91.5 m95 -134.98 155.41 50.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.06 93.18 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -110.48 168.38 9.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.455 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.5 p90 -131.8 131.05 42.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.455 ' OG ' ' CE2' ' A' ' 102' ' ' TYR . 16.9 p -121.72 137.06 54.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.75 -15.05 58.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -116.58 111.11 19.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -40.45 105.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.412 ' HB2' ' CD1' ' A' ' 97' ' ' ILE . 70.9 mt -74.71 -176.8 2.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.57 139.91 52.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.46 ' CD1' ' HA ' ' A' ' 96' ' ' LYS . 4.0 mm? -56.19 119.25 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 97.62 5.88 57.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.463 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 10.4 t0 -79.91 140.93 36.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.357 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.5 ttp85 -89.97 131.1 36.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.454 ' CG2' ' HB ' ' A' ' 137' ' ' VAL . 24.2 m -139.87 150.37 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 45.2 ttm -112.65 137.17 51.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 40.1 t -61.27 120.25 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 136' ' ' LYS . 7.9 p -87.9 -35.39 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 128' ' ' VAL . 4.5 m-20 -175.3 146.08 0.8 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.417 ' O ' ' CG2' ' A' ' 130' ' ' VAL . 0.8 OUTLIER -118.05 131.56 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.07 28.09 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 116.32 -80.88 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.3 tp -119.87 17.08 12.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -154.33 105.01 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.434 HD12 ' C ' ' A' ' 135' ' ' LEU . 0.4 OUTLIER -103.94 166.66 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.467 ' HB2' ' CG1' ' A' ' 128' ' ' VAL . 6.4 mtpm? -104.25 140.73 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.454 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 27.6 m -114.59 138.98 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -119.73 130.56 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -58.05 123.27 15.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 19.8 pt . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 111.141 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.812 0.339 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.535 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.2 t80 54.25 43.37 30.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -122.71 -18.5 6.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -38.57 -35.49 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -46.79 129.89 11.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.7 -36.71 2.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -66.42 156.88 33.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 92' ' ' GLY . 8.0 p -113.76 138.73 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.444 ' N ' HG23 ' A' ' 91' ' ' VAL . . . -126.88 -167.3 12.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.79 127.23 41.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.772 0.32 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.435 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 3.4 m -66.13 124.5 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.411 HG22 ' CD ' ' A' ' 110' ' ' LYS . 26.3 m -96.48 -30.59 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.404 ' N ' HG21 ' A' ' 95' ' ' VAL . 33.1 tttp -163.11 158.24 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.5 HG21 ' CE2' ' A' ' 102' ' ' TYR . 20.6 mt -127.76 138.77 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.402 ' N ' HG23 ' A' ' 97' ' ' ILE . . . -150.01 130.34 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -42.05 -52.33 4.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -56.04 -38.83 71.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -171.65 159.06 5.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.515 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.2 m-85 -110.27 149.51 30.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.5 mt -107.66 110.87 22.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -117.5 128.98 74.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -88.25 111.98 22.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.459 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 65.7 t -116.46 115.0 47.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 63.58 26.46 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 85.92 27.35 31.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.469 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 27.8 m-20 -145.72 117.93 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.837 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.411 ' CD ' HG22 ' A' ' 95' ' ' VAL . 18.6 mtmt -64.36 141.91 58.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.469 ' CD1' ' O ' ' A' ' 109' ' ' ASP . 89.5 m95 -127.52 178.6 5.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.439 HD13 ' N ' ' A' ' 112' ' ' ILE . 3.1 mp -113.98 96.63 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -116.14 158.03 23.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.515 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.3 p90 -130.19 121.6 26.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.1 t -130.77 126.14 35.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -62.64 -25.43 68.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -83.24 116.3 22.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.73 101.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.4 ' C ' ' CD1' ' A' ' 97' ' ' ILE . 22.4 mt -76.29 -176.65 3.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.15 133.88 26.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.3 mp -47.37 119.97 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.33 1.86 50.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.487 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.435 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 69.7 m-20 -84.23 126.31 33.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.752 0.311 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -75.39 124.09 26.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 18.8 m -131.87 143.49 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 4.3 ttm -102.81 138.58 39.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.52 115.77 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.6 t -76.07 -43.63 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -163.15 162.53 25.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.403 ' CG2' ' HB3' ' A' ' 135' ' ' LEU . 79.6 t -125.77 120.04 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.12 28.17 7.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 122.71 -112.82 2.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.51 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.1 OUTLIER -82.5 -1.9 51.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.03 178.62 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.451 HD22 ' CD2' ' A' ' 111' ' ' TRP . 0.4 OUTLIER -173.63 127.89 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -63.93 160.92 16.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.1 m -144.65 138.78 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -125.71 124.99 42.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -52.61 133.34 36.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 31.2 pt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 111.124 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.401 ' OG1' ' CD ' ' A' ' 86' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.809 0.337 . . . . 0.0 111.124 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.549 ' CE1' ' O ' ' A' ' 130' ' ' VAL . 1.0 OUTLIER 42.56 47.11 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 88' ' ' LYS . 22.7 pt-20 -121.88 -28.91 4.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -32.36 -35.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 86' ' ' GLU . 9.7 tttp -62.65 131.5 49.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.14 -26.84 17.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -86.61 170.43 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.7 t -118.32 128.93 75.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -116.66 -172.2 16.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.88 126.87 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.886 0.374 . . . . 0.0 110.835 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 123' ' ' ASP . 6.6 m -68.51 116.55 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 103' ' ' LEU . 18.9 m -92.57 -30.66 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.424 ' C ' HG13 ' A' ' 97' ' ' ILE . 14.0 mtpp -154.07 173.61 15.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.424 HG13 ' C ' ' A' ' 96' ' ' LYS . 46.0 mt -145.81 132.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 101' ' ' HIS . . . -143.34 133.31 24.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -46.14 -50.91 14.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.11 -36.45 79.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.402 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 49.3 p-80 -168.53 152.65 5.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.2 m-85 -104.12 150.89 23.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.423 ' HB3' ' CG2' ' A' ' 95' ' ' VAL . 4.3 mm? -104.22 108.55 19.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -118.56 127.76 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -90.35 115.45 27.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.521 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 46.7 t -121.16 127.91 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 55.77 29.62 14.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.61 27.65 56.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.402 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 0.8 OUTLIER -145.67 119.93 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -59.61 144.84 46.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.564 ' CE3' HD11 ' A' ' 135' ' ' LEU . 86.8 m95 -133.15 176.45 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.9 mp -116.44 101.86 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.407 ' HB3' ' CD2' ' A' ' 135' ' ' LEU . . . -128.18 163.17 25.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.571 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 3.9 p90 -133.77 132.93 41.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.3 t -123.25 136.98 54.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -67.42 -23.65 65.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 9.3 pt-20 -104.03 113.96 27.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -47.98 107.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 10.1 mt -78.45 -176.12 4.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.31 133.9 41.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.4 mp -51.02 126.01 15.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.67 -1.78 55.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.439 ' O ' ' CG2' ' A' ' 94' ' ' VAL . 2.4 t70 -88.55 139.24 30.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.0 ptt-85 -84.25 140.03 31.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 30.9 m -144.32 151.15 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 34.1 ttm -111.94 134.89 53.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 86.1 t -64.72 102.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.91 -36.55 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -171.25 154.6 4.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.549 ' O ' ' CE1' ' A' ' 85' ' ' PHE . 7.7 p -156.53 127.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -109.56 -15.25 14.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -167.16 -93.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.7 mt -111.0 18.27 19.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -128.72 95.61 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.564 HD11 ' CE3' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -103.56 80.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 135' ' ' LEU . 17.7 mttm -37.11 126.34 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.3 m -113.99 129.29 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -122.15 138.81 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 -59.51 132.03 52.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 30.0 pt . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.593 0.711 . . . . 0.0 111.161 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.853 0.358 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.403 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.0 OUTLIER 64.29 43.31 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 87' ' ' LEU . 20.0 mm-40 -127.72 -29.6 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -30.66 -40.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.931 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.47 ' CB ' HG23 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -47.46 97.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.54 -30.77 8.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.485 ' HE2' ' N ' ' A' ' 87' ' ' LEU . 46.7 mtmt -67.25 161.13 25.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.7 t -109.3 130.48 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.14 -160.59 12.82 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.27 148.88 50.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 123' ' ' ASP . 2.2 t -88.43 112.47 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.502 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 17.4 m -98.24 -38.65 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 97' ' ' ILE . 1.6 tmmm? -154.81 154.31 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.566 HG23 ' CD2' ' A' ' 102' ' ' TYR . 4.2 mp -130.07 141.81 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -153.63 133.26 12.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -48.03 -45.87 32.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -63.47 -34.82 78.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -173.17 151.96 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.1 m-85 -105.91 143.71 33.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -101.88 103.32 13.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.446 HG11 ' CG2' ' A' ' 125' ' ' VAL . 1.5 t -110.66 119.8 60.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -85.11 102.21 13.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.532 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 41.4 t -103.87 116.83 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 57.98 37.03 26.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.54 31.49 56.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 16.4 m-20 -145.79 112.58 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.391 . . . . 0.0 110.83 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -60.46 137.77 58.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.532 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 93.1 m95 -124.95 171.37 10.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.3 mp -113.43 88.15 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -108.95 156.78 19.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.495 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 1.5 p90 -127.1 121.44 31.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 116' ' ' ASP . 33.2 m -135.92 107.65 7.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.803 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 115' ' ' SER . 1.1 m-20 -37.17 -33.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 115' ' ' SER . 45.4 mt-10 -77.72 114.72 16.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 99.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.3 173.09 6.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.492 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.7 OUTLIER -122.67 162.65 21.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 95' ' ' VAL . 3.6 mm? -62.04 125.5 24.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 89.59 3.31 74.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.508 ' O ' ' CG2' ' A' ' 94' ' ' VAL . 1.4 m-20 -86.46 100.01 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 -60.14 159.9 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.446 ' CG2' HG11 ' A' ' 104' ' ' VAL . 33.4 m -157.31 145.55 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 35.7 ttp -107.24 128.84 54.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.41 124.38 13.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.8 p -96.92 -32.46 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -148.88 143.18 26.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.47 HG23 ' CB ' ' A' ' 88' ' ' LYS . 70.8 t -128.4 122.51 57.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -115.81 23.61 12.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 113.15 -111.34 2.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 13.0 mt -82.38 19.26 1.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.853 0.358 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -153.65 115.73 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -122.93 125.7 45.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 137' ' ' VAL . 9.3 tmtt? -72.33 137.28 46.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.462 ' N ' ' HD3' ' A' ' 136' ' ' LYS . 12.5 m -121.75 149.39 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -132.69 131.12 40.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.97 133.65 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.8 pt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.6 0.714 . . . . 0.0 111.132 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.414 HG22 ' CD ' ' A' ' 107' ' ' GLU . 9.2 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.841 0.353 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.492 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.1 t80 45.37 42.95 8.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -121.61 -25.13 5.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.434 ' CD1' ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -39.9 -34.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.95 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -41.75 106.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.98 -36.57 3.89 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' LEU . 72.2 mttt -57.77 156.59 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 92' ' ' GLY . 75.3 t -105.29 134.99 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.404 ' N ' HG11 ' A' ' 91' ' ' VAL . . . -125.7 176.35 17.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -119.75 138.47 53.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.451 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 3.5 m -77.23 84.81 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.451 ' CG2' ' HE3' ' A' ' 110' ' ' LYS . 16.5 m -64.16 -18.61 23.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -173.13 152.29 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.566 HG22 ' CD2' ' A' ' 102' ' ' TYR . 5.1 mp -124.7 140.16 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -149.79 132.46 15.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -45.85 -50.17 14.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -36.49 76.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -170.33 158.7 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CD2' HG22 ' A' ' 97' ' ' ILE . 1.3 m-85 -107.69 151.38 25.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.6 mt -109.17 110.68 21.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.432 HG11 ' CG2' ' A' ' 125' ' ' VAL . 1.2 t -122.78 117.68 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.451 ' OE2' ' C ' ' A' ' 108' ' ' GLY . 8.1 tp10 -79.95 102.12 9.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 16.7 t -108.4 136.84 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 106' ' ' VAL . 7.3 pt-20 50.65 28.24 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.451 ' C ' ' OE2' ' A' ' 105' ' ' GLU . . . 79.64 29.76 46.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.431 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -146.21 128.76 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.451 ' HE3' ' CG2' ' A' ' 95' ' ' VAL . 34.7 mtpt -68.86 120.59 15.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.569 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 90.2 m95 -110.75 174.29 5.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.442 HD12 ' N ' ' A' ' 112' ' ' ILE . 3.1 mp -115.13 95.98 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -111.36 162.96 14.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.559 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.8 p90 -137.04 122.1 19.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.9 t -123.23 127.13 48.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -23.86 67.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.82 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -92.62 114.16 26.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.61 122.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.1 mt -97.31 160.22 14.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.965 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 123' ' ' ASP . 0.8 OUTLIER -119.77 134.12 55.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 7.5 mt -48.55 127.22 12.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 93.14 2.84 65.89 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.451 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 20.2 m-20 -82.6 122.71 28.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -76.14 120.25 21.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.432 ' CG2' HG11 ' A' ' 104' ' ' VAL . 25.0 m -125.76 150.72 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 34.7 ttp -111.52 143.04 43.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 45.6 t -66.5 108.89 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.7 t -72.74 -39.42 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -175.84 141.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 135' ' ' LEU . 0.9 OUTLIER -118.98 133.28 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -100.92 3.44 41.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 149.63 -76.12 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.7 mt -117.06 -3.07 11.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -120.26 97.58 5.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.551 HD23 ' CE3' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -92.46 118.78 31.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.894 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.426 ' C ' HG11 ' A' ' 137' ' ' VAL . 0.2 OUTLIER -55.0 169.73 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.426 HG11 ' C ' ' A' ' 136' ' ' LYS . 33.3 m -150.75 132.79 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.14 128.91 52.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -61.4 116.03 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 45.5 pt . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 111.13 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 74' ' ' GLU . 10.1 mmp_? -91.28 -38.72 12.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 73' ' ' ARG . 2.1 tt0 -33.55 134.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.01 119.83 39.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.95 51.41 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.442 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 3.5 t0 -124.88 108.18 11.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.1 mp -73.61 -42.21 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.72 -148.52 18.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.11 -70.26 0.52 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -79.78 140.18 22.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.32 17.63 4.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.768 0.318 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -94.37 94.22 8.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.477 ' CG2' ' HG2' ' A' ' 86' ' ' GLU . 1.8 t -97.31 -8.99 28.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 40.73 49.34 2.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.477 ' HG2' ' CG2' ' A' ' 84' ' ' THR . 23.4 pt-20 -125.27 -24.39 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.425 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -39.27 -34.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.886 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.18 112.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.53 -30.55 10.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -72.56 160.98 31.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.7 t -105.67 129.9 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.17 165.33 14.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.9 140.87 43.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.347 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.452 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 4.7 m -83.17 102.74 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.45 HG22 ' CG ' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -83.18 -20.68 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -166.09 149.5 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.471 HG21 ' CD2' ' A' ' 102' ' ' TYR . 5.3 mp -128.17 145.31 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -156.55 130.27 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.86 -53.72 3.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -55.41 -35.55 65.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -174.78 152.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.557 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.1 m-85 -103.71 151.67 22.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.953 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -109.5 103.21 12.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.5 t -109.02 109.37 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -73.18 99.98 2.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.556 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 39.3 t -108.76 136.1 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 106' ' ' VAL . 3.8 pt-20 51.36 25.0 2.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.73 29.07 33.24 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -146.15 125.87 13.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.45 ' CG ' HG22 ' A' ' 95' ' ' VAL . 10.5 mtmm -71.57 116.15 11.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.556 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 91.4 m95 -100.43 179.03 4.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.5 91.23 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -116.79 166.06 12.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.557 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -136.04 130.07 32.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t -119.93 132.4 55.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.18 -20.41 64.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.34 111.21 23.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -39.46 125.62 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.487 HD12 ' CD2' ' A' ' 102' ' ' TYR . 8.7 mt -97.88 172.55 7.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.449 ' CB ' ' OD2' ' A' ' 123' ' ' ASP . 0.7 OUTLIER -123.89 137.78 54.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.5 mt -47.62 120.05 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 93.02 5.76 63.84 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.452 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 63.5 m-20 -77.47 131.74 38.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.8 mtm-85 -79.4 132.18 36.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.466 ' CG2' ' HB ' ' A' ' 137' ' ' VAL . 9.3 m -141.0 143.47 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 36.6 ttp -109.05 133.69 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 86.4 t -67.75 114.85 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 129' ' ' ASP . 6.7 p -77.62 -35.95 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.463 ' N ' HG13 ' A' ' 128' ' ' VAL . 3.2 t70 -163.25 156.26 18.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 18.9 t -125.83 122.83 62.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.22 44.51 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.05 -91.47 0.9 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.466 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 22.2 mt -103.15 3.55 35.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -124.67 141.56 52.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.508 HD23 ' CD2' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -136.8 108.54 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.73 126.13 26.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.466 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 35.3 m -109.01 143.7 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -131.24 117.63 19.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -46.9 135.11 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 36.0 pt -127.01 142.93 45.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 147.62 63.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.27 . . . . 0.0 112.341 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 162.94 40.21 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 2.238 . . . . 0.0 112.362 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 144' ' ' LEU . 14.2 tt0 -60.48 -58.23 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 143' ' ' GLN . 2.6 mp -34.45 -36.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 143' ' ' GLN . 5.9 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.438 ' N ' ' NE ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.0 ttm105 -84.63 5.73 26.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -93.72 29.75 1.97 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.6 p -61.7 85.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 85.0 m -100.75 -60.38 1.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -79.4 112.94 17.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 61.4 mt -86.23 -49.69 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.82 60.27 0.81 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.494 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -97.07 45.39 1.8 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.85 143.63 0.55 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.513 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -90.28 -26.88 19.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.576 ' CD1' ' N ' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -72.15 96.44 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.5 t -112.38 -18.43 12.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 3.0 t80 61.51 41.4 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 87' ' ' LEU . 57.4 mm-40 -124.45 -22.7 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.494 HD13 ' CZ2' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -34.95 -36.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 86' ' ' GLU . 18.5 tttt -48.59 115.44 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.47 -32.19 6.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.508 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -66.93 155.66 37.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.3 t -107.1 140.23 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.84 175.72 19.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -116.31 121.32 41.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.462 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 4.5 m -63.51 106.76 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.4 HG21 ' CD ' ' A' ' 110' ' ' LYS . 19.6 m -81.82 -19.55 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.402 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 20.8 ttpt -173.02 163.19 4.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.57 HG22 ' CD2' ' A' ' 102' ' ' TYR . 21.2 mt -133.19 142.99 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.79 134.6 15.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -47.54 -50.3 24.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -60.14 -33.47 72.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -174.18 159.29 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.57 ' CD2' HG22 ' A' ' 97' ' ' ILE . 1.3 m-85 -109.65 154.13 23.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -110.65 110.19 20.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -117.57 122.32 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -83.76 113.25 20.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.488 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 58.9 t -120.44 116.32 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 62.85 27.5 16.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.29 27.27 40.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 7.9 m-20 -145.58 114.53 6.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.4 ' CD ' HG21 ' A' ' 95' ' ' VAL . 14.8 mtmm -63.75 136.76 57.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.531 ' CE3' HD21 ' A' ' 135' ' ' LEU . 81.8 m95 -117.87 177.08 4.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.4 mp -116.53 93.06 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -121.34 164.85 16.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.566 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.0 p90 -135.2 126.98 29.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.1 t -123.13 128.58 50.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.05 -27.34 65.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -88.64 115.56 26.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -52.68 97.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 97' ' ' ILE . 42.8 mt -66.96 -177.74 0.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.3 134.91 31.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' A' ' 96' ' ' LYS . 4.6 mm? -44.81 121.29 2.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 93.57 4.81 63.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.537 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.462 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 41.7 m-20 -82.7 122.54 28.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -72.45 127.01 31.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 34.7 m -131.37 164.58 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.165 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 51.0 ttm -130.31 142.84 50.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 38.3 t -75.81 103.57 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.2 p -78.78 -16.29 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -175.28 152.68 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.2 p -164.2 134.31 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -128.74 50.5 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 133.93 -98.16 0.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 29.0 mt -115.48 -1.29 12.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -108.63 99.8 9.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.531 HD21 ' CE3' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -105.9 105.86 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -57.97 114.93 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.5 m -102.73 150.16 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -139.24 134.24 32.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -57.97 122.76 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.0 pt -119.33 138.98 27.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 166.29 28.1 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.641 2.227 . . . . 0.0 112.368 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 163.71 37.21 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.368 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -90.6 39.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 3.6 pp -52.71 -39.24 61.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.812 0.339 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -38.62 -52.55 1.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -147.0 144.21 29.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 m -65.41 118.22 9.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.15 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 76.2 p -100.04 84.57 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -154.18 129.23 9.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 39.2 mt -59.32 -43.61 90.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.065 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.8 -108.64 2.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.86 -55.84 0.27 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 160.97 119.41 0.51 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -55.31 -21.54 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.589 ' CD1' ' N ' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -97.97 96.35 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 85' ' ' PHE . 10.0 t -108.71 0.22 20.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.0 t80 37.18 41.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -123.21 -18.45 6.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.44 -40.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -46.66 120.64 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.29 -31.43 5.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -71.13 151.62 44.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.353 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.428 HG22 ' N ' ' A' ' 92' ' ' GLY . 6.6 p -109.31 137.77 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.428 ' N ' HG22 ' A' ' 91' ' ' VAL . . . -123.78 -164.63 12.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -131.19 130.06 42.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.449 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 2.8 m -65.43 103.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 105' ' ' GLU . 34.7 m -77.01 -30.37 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.186 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 6.4 tttp -170.68 160.06 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.537 HG23 ' CD2' ' A' ' 102' ' ' TYR . 44.0 mt -124.21 148.79 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.444 ' N ' HG22 ' A' ' 97' ' ' ILE . . . -142.03 156.83 45.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -63.41 -46.15 87.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.49 -36.07 82.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.662 ' CD2' ' CG2' ' A' ' 112' ' ' ILE . 3.1 t60 -169.05 -175.56 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.537 ' CD2' HG23 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -118.13 152.89 34.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -106.58 116.35 31.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -121.1 121.89 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.459 ' HB2' ' CG1' ' A' ' 95' ' ' VAL . 10.5 tt0 -87.68 106.72 18.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.55 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 41.3 t -109.77 119.39 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 62.27 30.93 17.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.03 30.13 48.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -145.72 123.99 12.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -62.24 142.85 57.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.55 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 90.7 m95 -134.31 172.04 13.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.662 ' CG2' ' CD2' ' A' ' 101' ' ' HIS . 4.5 mp -109.5 100.08 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.607 ' O ' ' CD2' ' A' ' 101' ' ' HIS . . . -122.5 153.66 38.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.568 ' HB3' ' CE1' ' A' ' 101' ' ' HIS . 0.6 OUTLIER -119.74 129.12 54.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 p -117.86 134.41 54.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -75.11 -18.83 60.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 118' ' ' LYS . 30.3 mt-10 -117.37 111.57 19.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 117' ' ' GLU . 9.0 ptpp? -37.67 105.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.0 mt -74.36 173.31 10.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.414 ' CB ' ' OD2' ' A' ' 123' ' ' ASP . 0.7 OUTLIER -123.26 135.16 54.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 34.3 mt -47.41 120.73 3.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 97.97 3.69 57.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.544 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.449 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 78.2 m-20 -84.18 133.31 34.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -82.37 136.12 35.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.455 ' CG2' ' HB ' ' A' ' 137' ' ' VAL . 29.8 m -141.92 144.81 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 31.1 ttp -109.13 134.39 51.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.43 121.66 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.5 p -84.9 -35.53 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -162.94 145.69 10.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' A' ' 135' ' ' LEU . 75.7 t -111.6 118.36 57.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.49 48.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 97.91 -109.06 3.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 133' ' ' LEU . 4.5 mm? -87.57 6.84 32.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -132.25 149.14 52.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 130' ' ' VAL . 0.1 OUTLIER -142.77 112.97 7.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -60.62 132.22 53.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.455 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 26.8 m -118.24 137.64 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -124.16 122.44 37.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -45.93 135.93 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 31.6 pt -124.16 147.15 53.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.731 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 150.15 67.42 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 178.18 4.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -93.55 1.66 56.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.9 mt -90.13 41.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.45 ' NE ' ' HA ' ' A' ' 72' ' ' ARG . 12.1 mmp_? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.769 0.319 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -85.5 -47.43 9.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -58.2 171.78 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -103.7 124.78 49.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.1 m -55.44 -50.07 70.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.083 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -136.86 111.51 8.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.7 pt -66.82 -25.46 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.19 -37.54 3.39 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.5 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.19 -48.06 48.81 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.477 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.03 164.04 29.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -98.58 38.68 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.793 0.33 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -118.83 111.81 18.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 t -106.41 -20.75 13.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.0 t80 59.22 43.78 16.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 88' ' ' LYS . 20.5 mt-10 -125.17 -26.52 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -32.9 -35.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 86' ' ' GLU . 12.5 tptp -41.48 109.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.94 -37.22 3.7 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -62.52 154.47 28.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.1 t -100.13 135.65 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.98 160.19 13.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.535 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.24 133.91 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 123' ' ' ASP . 92.9 t -72.28 95.99 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.463 HG22 ' N ' ' A' ' 96' ' ' LYS . 19.6 m -78.31 -42.62 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.471 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 22.6 tttp -156.22 170.33 22.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.57 HG21 ' CD2' ' A' ' 102' ' ' TYR . 18.5 mt -142.0 135.91 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.456 ' N ' HG23 ' A' ' 97' ' ' ILE . . . -139.19 146.3 40.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -57.3 -47.76 80.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.68 -32.91 74.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.426 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 9.6 p-80 -170.02 163.9 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.57 ' CD2' HG21 ' A' ' 97' ' ' ILE . 1.3 m-85 -110.61 152.46 26.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 27.4 mt -108.22 115.34 29.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.468 HG11 ' CG2' ' A' ' 125' ' ' VAL . 1.1 t -122.15 136.4 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -100.98 103.25 14.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.6 t -108.83 129.94 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 49.48 31.83 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.16 34.19 42.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.442 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -141.57 136.38 31.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -82.2 123.33 28.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 135' ' ' LEU . 93.7 m95 -117.97 174.5 6.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mp -116.14 94.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.403 ' CB ' HG12 ' A' ' 137' ' ' VAL . . . -110.63 163.14 14.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.523 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.7 p90 -137.49 121.47 17.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.8 m -131.87 110.77 11.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -45.72 -32.0 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.42 112.5 10.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -51.53 111.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.432 ' C ' ' CD1' ' A' ' 97' ' ' ILE . 53.6 mt -87.45 -175.77 5.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.952 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.407 ' N ' HD11 ' A' ' 97' ' ' ILE . 0.7 OUTLIER -142.59 151.78 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 30.6 mt -59.62 136.62 58.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.35 1.9 88.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.464 ' HB3' ' CG2' ' A' ' 94' ' ' VAL . 25.8 t0 -74.89 175.34 8.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -121.18 131.46 54.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.468 ' CG2' HG11 ' A' ' 104' ' ' VAL . 21.9 m -140.71 134.39 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.425 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 25.4 ttm -103.53 149.6 24.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.425 ' N ' ' HG2' ' A' ' 126' ' ' MET . 69.9 t -82.07 122.34 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.473 HG11 ' N ' ' A' ' 129' ' ' ASP . 14.6 p -98.48 -27.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.473 ' N ' HG11 ' A' ' 128' ' ' VAL . 4.9 m-20 -157.42 146.01 19.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.467 HG21 ' CD2' ' A' ' 135' ' ' LEU . 43.1 t -127.41 121.02 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -108.56 25.63 11.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 118.04 -102.55 0.98 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.43 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.6 tp -86.12 -10.43 54.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.883 0.373 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -115.63 138.89 50.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.467 ' CD2' HG21 ' A' ' 130' ' ' VAL . 0.2 OUTLIER -131.52 105.78 7.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -55.87 108.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.403 HG12 ' CB ' ' A' ' 113' ' ' ALA . 6.2 m -104.26 149.5 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -123.69 152.43 42.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -67.38 119.28 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 12.2 pt -127.26 140.69 38.6 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.92 58.45 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.721 2.281 . . . . 0.0 112.306 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . 0.402 ' HG2' ' C ' ' A' ' 145' ' ' GLU . 53.6 Cg_endo -69.83 128.18 15.6 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.334 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -45.2 -34.01 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.9 mt -85.64 37.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.402 ' C ' ' HG2' ' A' ' 142' ' ' PRO . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.783 0.325 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 74' ' ' GLU . 4.7 mpt_? -48.31 -48.02 36.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 73' ' ' ARG . 1.7 tt0 -33.61 149.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.1 t -92.19 55.01 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.6 m -79.73 -40.55 28.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -74.33 139.87 44.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.3 mp -61.75 -48.52 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 68.68 108.82 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.418 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.72 -117.56 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 100.32 124.52 5.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.502 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -85.86 39.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -119.82 114.89 22.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.433 ' CG2' HD13 ' A' ' 87' ' ' LEU . 10.0 t -122.48 -10.69 8.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.096 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.3 t80 47.18 40.74 10.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 87' ' ' LEU . 22.2 mt-10 -123.89 -26.14 4.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.503 ' HG ' ' CE2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -35.96 -34.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -50.06 98.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.849 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.22 -29.81 7.13 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.533 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -73.55 167.48 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 92' ' ' GLY . 66.2 t -106.96 138.4 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.447 ' N ' HG13 ' A' ' 91' ' ' VAL . . . -124.38 157.48 18.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -103.03 121.26 42.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.44 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 4.5 m -65.85 88.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.2 m -66.81 -32.5 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 41.5 tttt -155.57 165.92 35.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.469 HG21 ' N ' ' A' ' 98' ' ' ALA . 21.2 mt -137.9 137.62 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.469 ' N ' HG21 ' A' ' 97' ' ' ILE . . . -146.15 134.6 21.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -44.6 -52.99 7.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.7 -39.99 74.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' ALA . 40.3 p-80 -168.44 162.35 12.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.503 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -108.97 143.87 37.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.11 109.31 22.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -116.96 129.16 73.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -94.82 105.31 17.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.431 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 23.2 t -110.71 125.02 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 57.65 30.05 18.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.53 27.35 57.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.454 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -141.49 127.92 20.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -65.64 142.55 58.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.504 ' CE3' HD12 ' A' ' 135' ' ' LEU . 89.2 m95 -133.95 172.78 12.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 112' ' ' ILE . 5.1 mp -114.8 93.56 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -112.18 150.39 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.472 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 1.7 p90 -122.13 121.7 37.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.0 m -127.61 107.66 10.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -54.36 -28.89 46.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -81.09 111.03 17.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.4 113.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 76.1 mt -91.92 163.14 14.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.48 134.74 54.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 10.3 mt -53.56 121.6 8.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.57 5.5 58.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.531 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.44 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -80.35 146.26 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.861 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -92.91 120.08 32.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.6 160.85 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 43.3 ttm -125.58 131.21 52.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 135' ' ' LEU . 59.5 t -67.0 126.87 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.458 HG11 ' N ' ' A' ' 129' ' ' ASP . 7.3 p -103.73 -32.59 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.458 ' N ' HG11 ' A' ' 128' ' ' VAL . 2.1 t70 -146.81 144.97 29.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 135' ' ' LEU . 11.9 t -133.63 119.23 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -103.63 28.6 6.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 110.69 -107.73 2.29 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.2 tp -83.22 20.16 1.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.928 0.394 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.66 138.39 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.6 ' CD1' ' N ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -142.32 148.02 37.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 137' ' ' VAL . 9.6 tmtt? -84.79 140.29 31.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.466 ' N ' ' HD3' ' A' ' 136' ' ' LYS . 17.1 m -121.29 145.21 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -115.38 129.43 56.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -59.56 121.18 10.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 46.9 pt -127.03 138.31 32.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 167.18 25.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 174.4 9.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -98.59 -25.78 14.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.6 mt -85.86 36.68 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.447 ' N ' ' HD3' ' A' ' 73' ' ' ARG . 1.8 mpp_? -84.46 6.53 23.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -40.03 111.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.5 m -81.01 114.64 20.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.1 m -134.95 101.41 4.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -93.96 121.53 35.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 72.4 mt -90.46 -57.5 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.82 -134.38 6.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.8 114.32 3.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.84 -157.13 15.79 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.451 ' O ' ' CH2' ' A' ' 111' ' ' TRP . 5.3 mtpp -99.18 -8.11 25.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.827 0.346 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.517 ' N ' ' CD1' ' A' ' 83' ' ' TYR . 2.2 m-30 -96.24 97.2 9.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.7 t -115.67 -12.78 11.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.178 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.516 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.7 t80 49.89 42.86 24.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 87' ' ' LEU . 10.4 mm-40 -124.91 -24.61 4.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -34.42 -41.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.85 114.74 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.85 -33.95 6.17 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -72.43 168.07 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 44.0 t -112.01 138.62 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.4 171.22 16.57 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -117.28 126.68 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.326 . . . . 0.0 110.953 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.45 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 4.2 m -68.18 102.22 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.4 m -81.86 -24.22 9.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 27.2 tttp -166.63 152.35 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.44 HG22 ' CD2' ' A' ' 102' ' ' TYR . 4.6 mp -123.99 138.66 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -144.65 133.1 21.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -46.22 -50.24 16.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -60.89 -38.01 84.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -168.51 156.76 8.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.57 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.2 m-85 -102.47 149.44 24.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.0 mt -104.0 102.89 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -112.12 118.65 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -85.76 111.89 20.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 62.3 t -113.26 132.69 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 45.03 32.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.16 32.69 47.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.445 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 3.0 m-20 -145.65 117.61 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -64.25 141.66 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.513 ' CG ' HD13 ' A' ' 135' ' ' LEU . 95.7 m95 -131.13 173.44 11.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.952 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.08 93.14 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -124.16 163.59 21.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.57 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 5.2 p90 -138.19 135.32 35.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.5 m -130.63 114.38 15.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.24 -27.82 1.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -79.76 116.8 20.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -53.34 98.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.9 mt -77.81 168.37 20.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 m -128.44 140.16 51.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 16.7 mt -53.0 120.73 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 98.79 7.32 55.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.45 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 1.0 OUTLIER -91.29 134.88 34.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 110.864 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -80.61 141.95 34.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 31.9 m -145.96 154.96 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 33.0 ttm -121.85 143.46 49.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.21 117.56 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.459 HG11 ' N ' ' A' ' 129' ' ' ASP . 8.6 p -93.57 -26.44 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.459 ' N ' HG11 ' A' ' 128' ' ' VAL . 11.1 t70 -156.58 162.32 39.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 79.3 t -144.87 144.89 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -127.64 19.49 6.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 120.87 -81.76 0.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.44 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.8 tp -101.95 -6.9 22.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.921 0.391 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.44 145.58 37.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.513 HD13 ' CG ' ' A' ' 111' ' ' TRP . 0.3 OUTLIER -135.01 91.51 2.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -53.04 103.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 16.4 m -101.0 155.22 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.123 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -138.03 145.8 42.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.431 ' NH1' ' O ' ' A' ' 140' ' ' ILE . 26.0 tpt85 -57.99 127.08 30.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.431 ' O ' ' NH1' ' A' ' 139' ' ' ARG . 36.6 pt -124.68 139.11 32.52 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.628 0.728 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 147.92 63.71 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -175.27 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -107.07 -28.58 9.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.7 34.78 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.923 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.792 0.33 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -45.42 -27.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.406 ' N ' ' HG2' ' A' ' 73' ' ' ARG . 43.0 mt-10 -67.25 139.07 57.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.0 t -152.13 116.16 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.6 m -113.33 -41.75 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -128.15 112.95 15.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 65.8 mt -60.36 -45.57 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.3 -73.84 0.43 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.524 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -173.3 98.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.463 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 124.69 141.47 5.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -89.99 36.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -119.15 112.31 19.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.4 t -107.28 -25.51 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.2 t80 59.94 38.73 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 87' ' ' LEU . 25.4 mm-40 -124.34 -15.74 6.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.438 HD12 ' CZ2' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -37.22 -35.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.98 109.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.03 -36.96 3.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -61.81 158.14 16.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.9 t -111.59 129.06 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.3 -162.32 13.5 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -140.72 120.52 13.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.43 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 9.0 m -58.76 118.99 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.8 m -98.66 -43.06 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -146.59 155.16 42.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.512 HG23 ' CD2' ' A' ' 102' ' ' TYR . 19.6 mt -124.42 146.94 29.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -159.25 130.98 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.61 -48.61 10.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.92 -36.71 77.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -173.05 160.62 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.558 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.0 OUTLIER -109.46 145.91 35.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.861 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 26.9 mt -101.23 118.36 36.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.3 t -126.02 120.42 56.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -85.77 106.57 17.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.545 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 38.6 t -105.12 131.22 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 43.6 37.8 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.98 33.47 57.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.525 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 3.8 m-20 -145.92 117.36 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -57.94 147.0 30.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.545 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 96.7 m95 -141.33 174.24 10.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 44.4 mm -118.94 100.01 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.422 ' CB ' HG13 ' A' ' 137' ' ' VAL . . . -120.26 158.68 26.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.558 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.1 p90 -131.18 126.09 34.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.8 t -119.96 131.95 55.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -66.82 -25.09 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 118' ' ' LYS . 12.4 pt-20 -101.71 114.27 28.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 117' ' ' GLU . 39.6 mtmt -37.1 113.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.408 ' C ' HD13 ' A' ' 97' ' ' ILE . 67.2 mt -81.85 -175.17 5.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.51 -174.81 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 78.3 mt -108.59 119.59 39.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 93.23 -1.07 69.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.553 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.43 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 4.6 t70 -73.79 165.91 24.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -104.47 125.33 50.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.2 m -131.92 159.16 43.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 35.0 ttm -126.87 145.26 50.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 135' ' ' LEU . 59.4 t -69.2 109.39 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.463 ' CG2' ' HE3' ' A' ' 138' ' ' LYS . 13.2 p -77.81 -36.66 22.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.433 ' N ' HG12 ' A' ' 128' ' ' VAL . 1.4 t70 -160.54 142.47 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.9 p -149.46 137.58 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -124.8 11.07 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 168.22 -96.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.9 tt -108.75 3.95 23.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -116.24 100.46 7.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -107.15 79.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 135' ' ' LEU . 47.5 tttm -33.48 126.28 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.422 HG13 ' CB ' ' A' ' 113' ' ' ALA . 35.0 m -106.61 141.59 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.463 ' HE3' ' CG2' ' A' ' 128' ' ' VAL . 4.2 mtmp? -128.66 141.41 51.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -63.82 118.82 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 18.4 pt -120.12 138.23 26.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.642 0.734 . . . . 0.0 111.127 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 149.73 67.52 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.398 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -165.86 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.688 2.258 . . . . 0.0 112.365 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -117.48 -28.96 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -75.41 -13.01 60.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.0 mtt-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -91.04 -41.11 11.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -150.35 152.2 34.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.3 t -84.61 27.34 0.73 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.7 m 58.38 47.77 13.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -145.16 129.48 17.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.6 mt -44.62 -53.73 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 48.69 43.94 29.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -139.39 -138.62 3.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.469 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -82.36 162.61 42.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.429 ' CD ' ' HG ' ' A' ' 133' ' ' LEU . 16.1 mtpp -95.84 -42.12 8.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.446 ' CD1' ' N ' ' A' ' 83' ' ' TYR . 0.9 OUTLIER -131.07 -57.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.2 t -132.74 -32.14 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 3.2 t80 50.02 46.25 24.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 87' ' ' LEU . 52.0 mt-10 -124.97 -22.46 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -33.8 -38.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 86' ' ' GLU . 8.4 tptm -43.32 106.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.52 -36.04 4.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.67 151.72 41.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.5 p -108.66 138.5 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.11 178.49 17.5 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -114.02 132.5 55.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.44 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 3.1 m -69.88 93.56 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 96' ' ' LYS . 33.6 m -64.99 -37.57 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' N ' HG22 ' A' ' 95' ' ' VAL . 19.8 tttm -153.37 151.13 29.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.513 HG21 ' CD2' ' A' ' 102' ' ' TYR . 21.9 mt -123.52 140.08 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.37 131.73 13.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -44.26 -50.98 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.66 -37.88 76.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -169.16 157.39 7.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.513 ' CD2' HG21 ' A' ' 97' ' ' ILE . 1.2 m-85 -109.42 141.58 41.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.0 mt -99.39 106.32 18.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.5 t -114.6 120.29 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.41 117.1 22.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.508 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 46.2 t -126.26 127.33 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 53.03 37.92 25.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.73 29.27 71.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.41 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 2.5 m-20 -144.11 113.8 7.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -59.91 138.38 57.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.508 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 91.9 m95 -126.01 170.58 11.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 18.4 mt -115.22 94.74 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -111.18 161.33 16.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.507 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.2 p90 -131.46 121.63 24.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.967 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.7 t -125.74 119.97 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -59.59 -23.48 62.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -86.88 114.74 23.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -50.19 101.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 97' ' ' ILE . 37.4 mt -78.28 178.36 7.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.79 136.31 47.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 17.6 mt -48.53 120.35 3.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.59 4.81 59.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.44 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 48.0 m-20 -79.61 133.43 36.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -78.88 124.26 28.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.2 m -133.47 142.2 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 36.3 ttp -109.34 142.2 40.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.453 HG22 ' CD1' ' A' ' 135' ' ' LEU . 40.8 t -67.45 118.07 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.416 ' CG1' ' CB ' ' A' ' 136' ' ' LYS . 14.6 p -89.21 -20.87 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -172.67 149.44 2.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 62.6 t -122.74 136.99 57.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.9 23.33 6.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 106.51 -100.14 1.58 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.429 ' HG ' ' CD ' ' A' ' 82' ' ' LYS . 8.1 mt -91.4 29.32 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 110.93 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -169.21 135.41 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -140.32 131.47 26.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.416 ' CB ' ' CG1' ' A' ' 128' ' ' VAL . 23.6 mtpp -69.61 133.0 47.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.465 HG12 ' CB ' ' A' ' 113' ' ' ALA . 35.2 m -118.57 129.43 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -107.93 132.5 53.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -60.14 122.15 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 30.6 pt -127.1 140.37 37.64 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.633 0.73 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 132.77 23.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.64 2.227 . . . . 0.0 112.317 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 177.0 6.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.236 . . . . 0.0 112.35 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -121.15 45.07 2.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 3.0 pp -120.86 25.23 9.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.747 0.308 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 -64.56 -7.82 11.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -51.36 122.8 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.8 m -138.3 120.73 16.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.4 p -104.13 -46.51 4.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 t70 39.85 37.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.1 pt -44.21 -30.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.85 -46.68 2.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 178.97 115.03 0.44 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.516 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.13 160.36 32.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -93.91 -7.48 42.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.774 0.321 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -70.98 112.5 7.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.009 0.433 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.0 t -124.56 -18.66 5.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.144 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.457 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 56.02 40.43 30.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 87' ' ' LEU . 79.7 mm-40 -126.16 -24.96 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.489 HD11 ' N ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -32.44 -40.36 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -44.4 113.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.15 -35.25 5.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.495 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.3 150.12 43.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.1 p -99.91 138.09 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.98 175.37 16.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -117.3 123.05 45.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.937 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.418 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 3.3 m -63.92 117.28 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.9 m -101.04 -14.21 8.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 103' ' ' LEU . 21.4 tptm -163.64 161.98 23.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.573 HG23 ' CD1' ' A' ' 102' ' ' TYR . 5.3 mp -143.01 138.26 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 99' ' ' GLU . . . -150.39 129.5 12.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' ALA . 9.0 tt0 -38.18 -56.72 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -54.66 -42.35 71.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 112' ' ' ILE . 10.1 p-80 -168.09 145.92 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.573 ' CD1' HG23 ' A' ' 97' ' ' ILE . 4.6 m-30 -96.46 163.73 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.469 ' CB ' ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -116.39 111.63 20.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -119.96 123.58 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -84.34 128.93 34.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.557 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 43.1 t -126.67 131.48 71.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 39.05 41.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.59 32.04 62.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.599 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 64.9 m-20 -142.79 111.72 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -57.51 142.54 43.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 109' ' ' ASP . 99.6 m95 -140.07 149.8 43.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 101' ' ' HIS . 4.1 mp -99.14 98.52 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -115.69 166.33 12.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.037 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 114' ' ' TYR . 1.5 p90 -139.44 125.22 19.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -126.39 126.6 44.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -53.46 -24.31 12.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.48 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 6.6 pt-20 -95.09 115.54 27.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -56.67 117.74 4.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.9 mt -91.64 -176.57 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.93 138.42 46.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 59.4 mt -44.17 117.36 1.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.11 0.29 56.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.418 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 34.8 m-20 -75.59 132.32 40.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.77 0.319 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 40.7 mtm-85 -81.38 134.57 35.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 28.2 m -142.37 146.31 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 14.0 ttm -106.22 131.42 53.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.17 108.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.3 -38.96 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -167.15 150.59 6.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.428 HG11 ' N ' ' A' ' 131' ' ' ASP . 97.8 t -122.59 135.56 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.428 ' N ' HG11 ' A' ' 130' ' ' VAL . 6.2 t70 -121.58 -11.82 8.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 157.56 -100.01 0.19 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 133' ' ' LEU . 4.2 mm? -99.16 17.65 19.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -153.71 106.04 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -110.91 136.99 49.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -67.53 148.68 51.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 20.1 m -136.82 133.85 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -124.52 125.26 43.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -50.81 135.3 24.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 30.5 pt -126.8 143.95 48.37 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.631 0.729 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 162.25 42.78 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.366 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 173.45 10.96 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -126.09 78.95 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.7 mp 44.12 25.07 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -90.5 -40.8 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -74.14 175.87 7.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.1 p -82.8 47.26 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.0 m -88.62 -52.56 5.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.204 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 2.0 t0 -75.12 111.98 10.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.2 mp -60.2 -44.68 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.21 48.84 80.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 174.25 52.8 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 56.37 -124.58 35.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -107.39 2.42 24.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.5 m-30 -79.42 109.93 14.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.1 t -124.77 -17.85 5.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.526 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.5 t80 51.73 39.19 24.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 87' ' ' LEU . 44.2 mt-10 -123.64 -20.28 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.542 HD11 ' CZ2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -33.93 -39.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.933 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 127' ' ' VAL . 5.8 ttpm? -48.28 133.68 15.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.32 -31.0 2.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -75.53 158.55 32.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.7 p -111.17 136.93 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.24 -178.37 15.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -122.87 115.95 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.453 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 14.6 m -57.45 114.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.416 HG22 ' N ' ' A' ' 96' ' ' LYS . 34.7 m -87.69 -29.99 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 22.3 tttt -162.83 155.53 19.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.492 HG22 ' CD2' ' A' ' 102' ' ' TYR . 5.1 mp -125.26 143.77 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.95 152.83 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -63.86 -42.19 97.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -71.99 -31.65 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.513 ' CD2' HD12 ' A' ' 112' ' ' ILE . 54.1 p-80 -168.02 176.93 5.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.492 ' CD2' HG22 ' A' ' 97' ' ' ILE . 1.6 m-85 -120.09 143.49 48.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -101.22 106.88 18.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.7 t -113.1 153.5 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -118.23 115.04 23.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.513 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 63.2 t -120.14 123.33 70.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 48.72 36.88 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.6 37.93 57.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.446 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 27.4 m-20 -145.68 117.56 8.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -63.37 135.95 57.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.542 ' CZ2' HD11 ' A' ' 87' ' ' LEU . 99.4 m95 -131.07 146.43 52.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.513 HD12 ' CD2' ' A' ' 101' ' ' HIS . 41.4 mm -93.22 91.82 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.183 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -109.58 165.73 11.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.454 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.1 p90 -143.08 121.62 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 72.5 m -134.25 144.66 48.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -85.0 -17.9 36.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.23 118.85 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -49.14 97.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 72.5 mt -82.23 172.94 12.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.35 134.5 36.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 24.8 mt -48.37 118.94 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 89.46 11.95 63.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.453 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 15.7 t0 -82.62 149.59 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -88.15 130.05 35.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 32.7 m -140.66 147.83 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 29.4 ttm -113.0 129.62 56.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 68.9 t -62.7 127.0 22.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.409 HG11 ' N ' ' A' ' 129' ' ' ASP . 5.9 p -91.3 -30.66 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.409 ' N ' HG11 ' A' ' 128' ' ' VAL . 11.5 t0 -164.53 155.89 15.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 64.5 t -130.89 111.8 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -95.59 23.15 6.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 116.6 -97.73 0.77 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.9 mp -96.54 9.8 40.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -141.19 119.33 12.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -122.37 128.45 50.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -74.25 137.34 42.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.7 m -114.24 140.15 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -122.62 118.16 27.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -44.55 130.51 6.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 49.6 pt -127.01 139.39 34.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.666 0.746 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 160.49 49.53 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.367 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -178.57 2.38 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.706 2.271 . . . . 0.0 112.3 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -110.17 39.9 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 68.5 mt -52.06 -39.8 60.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' GLU . 8.3 mtp180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.795 0.331 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -41.62 -24.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 72' ' ' ARG . 11.1 mm-40 -72.22 106.28 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.0 p -131.28 107.06 8.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.8 m -85.8 -50.86 6.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -62.96 127.67 32.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.7 mt -87.53 -57.47 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.163 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.74 82.38 0.97 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.97 118.05 4.43 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.39 103.08 0.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.493 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -101.28 40.43 1.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.794 0.331 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -119.98 118.44 30.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.0 t -109.99 -17.55 13.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.183 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.1 t80 55.11 44.16 28.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 87' ' ' LEU . 75.1 mt-10 -125.88 -26.31 3.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -32.79 -41.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.473 ' CE ' ' HA ' ' A' ' 129' ' ' ASP . 5.7 tppt? -43.74 103.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.22 -34.84 5.44 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -63.93 143.53 57.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.1 t -100.92 132.75 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -126.34 -160.19 10.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.533 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -131.32 151.27 51.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.468 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 15.6 m -87.29 99.64 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.185 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.435 HG21 ' CD ' ' A' ' 110' ' ' LYS . 23.2 m -76.78 -18.71 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.464 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 27.1 tptt -173.95 153.04 2.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.523 HG22 ' CD2' ' A' ' 102' ' ' TYR . 17.9 mt -129.38 140.26 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.36 130.77 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -44.29 -48.93 9.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -58.25 -35.74 72.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 40.0 p-80 -174.4 154.49 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.563 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.2 m-85 -113.63 142.36 46.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.419 ' HB3' ' CG2' ' A' ' 95' ' ' VAL . 4.4 mm? -102.62 109.26 20.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.4 t -114.84 115.61 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -75.37 104.99 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.489 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 26.3 t -115.15 121.67 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 58.19 31.7 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.53 27.72 56.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.4 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 29.1 m-20 -145.04 115.7 7.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.435 ' CD ' HG21 ' A' ' 95' ' ' VAL . 25.3 mtmm -68.06 119.74 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.556 ' CE3' HD21 ' A' ' 135' ' ' LEU . 85.6 m95 -103.64 171.54 7.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.4 mp -111.23 92.68 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -117.17 166.41 12.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.563 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 0.2 OUTLIER -133.16 131.81 40.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.4 m -131.35 107.95 9.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -48.57 -26.21 2.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -85.15 114.02 21.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -48.06 115.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.4 mt -90.48 171.68 9.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.02 135.01 54.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 62.6 mt -56.51 126.29 25.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 92.31 -0.04 71.11 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.468 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 10.5 t70 -84.67 146.63 27.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.347 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.06 154.5 18.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.47 ' CG2' ' HB ' ' A' ' 137' ' ' VAL . 34.6 m -154.01 157.17 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ttp -113.0 138.29 50.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.432 ' CG1' HG23 ' A' ' 130' ' ' VAL . 69.9 t -73.29 105.33 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.21 -41.68 87.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.473 ' HA ' ' CE ' ' A' ' 88' ' ' LYS . 35.5 t0 -159.46 149.22 18.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.432 HG23 ' CG1' ' A' ' 127' ' ' VAL . 99.1 t -120.13 116.5 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -105.12 45.49 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 106.59 -113.3 4.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.436 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.26 1.71 43.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -119.46 161.85 19.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.556 HD21 ' CE3' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -160.13 107.74 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -58.37 129.2 40.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.47 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 26.9 m -114.96 135.46 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -114.41 133.49 55.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.9 tpt85 -62.03 122.81 16.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 34.0 pt -123.37 139.28 31.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 161.15 47.05 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 140.79 43.43 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -91.2 30.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.9 pp -56.37 -22.63 32.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.771 0.319 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -64.27 -46.81 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -42.36 162.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 t -57.72 112.16 1.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 28.9 m -153.08 110.66 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.07 151.45 40.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.0 pt -54.55 -34.73 29.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.1 -45.14 2.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.444 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 175.94 -72.9 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 173.83 -167.55 40.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.479 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 4.9 ptpp? -88.31 33.22 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.479 ' CE1' ' HG3' ' A' ' 82' ' ' LYS . 2.5 m-85 -117.75 112.47 20.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.2 t -114.25 -13.83 12.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.504 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.8 t80 50.67 41.31 25.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.48 ' O ' ' C ' ' A' ' 87' ' ' LEU . 7.2 mm-40 -126.12 -22.98 3.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -31.42 -44.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -58.62 95.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.02 -31.22 3.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.478 ' HD2' ' CG1' ' A' ' 106' ' ' VAL . 0.5 OUTLIER -90.22 158.89 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.476 HG22 ' N ' ' A' ' 92' ' ' GLY . 5.7 p -110.91 139.1 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.476 ' N ' HG22 ' A' ' 91' ' ' VAL . . . -126.37 -166.28 12.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -126.09 135.97 52.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 123' ' ' ASP . 1.3 m -74.79 118.14 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.1 m -86.16 -30.54 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -164.37 153.44 13.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.459 ' N ' ' HD2' ' A' ' 96' ' ' LYS . 3.9 mp -124.32 143.93 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.61 137.3 21.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -47.72 -51.3 22.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.63 -38.58 81.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -167.68 163.04 14.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.505 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.2 m-85 -109.43 147.24 33.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -106.05 107.66 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.7 t -112.41 143.63 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -110.18 100.53 9.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.478 ' CG1' ' HD2' ' A' ' 90' ' ' LYS . 21.0 t -107.04 130.76 58.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 46.06 44.73 11.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 63.37 37.76 95.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -144.98 128.94 17.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -73.35 136.9 44.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.501 ' CD2' HD23 ' A' ' 135' ' ' LEU . 99.5 m95 -133.6 158.51 43.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 34.9 mm -106.59 90.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -106.48 160.62 15.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.505 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 1.8 p90 -132.83 121.66 23.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.1 t -128.97 118.29 22.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -53.56 -27.75 27.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -83.91 115.0 22.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 pttm -51.99 120.82 5.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.8 mt -99.55 178.94 4.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.421 ' N ' ' OD2' ' A' ' 123' ' ' ASP . 1.2 m -139.08 133.12 31.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.424 HD11 ' CD1' ' A' ' 97' ' ' ILE . 9.9 mp -39.21 124.03 1.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 96.84 -5.88 64.21 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.43 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.441 ' HB2' ' CG2' ' A' ' 94' ' ' VAL . 24.4 m-20 -66.17 143.03 57.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.443 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 14.7 tpp180 -91.55 130.58 37.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 23.3 m -143.5 146.77 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 19.3 ttm -113.12 122.68 48.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 9.9 t -49.27 131.55 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 136' ' ' LYS . 7.3 p -113.9 -15.47 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -160.62 156.7 26.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 54.1 t -140.89 108.7 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -94.5 27.39 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 96.01 -85.74 0.91 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.543 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.7 tp -86.77 -0.68 56.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.95 0.405 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -140.54 170.82 15.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.501 HD23 ' CD2' ' A' ' 111' ' ' TRP . 0.2 OUTLIER -168.53 126.69 1.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.47 ' HB3' ' CG1' ' A' ' 128' ' ' VAL . 4.2 mmmm -59.06 170.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.5 m -151.58 135.5 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -112.18 124.64 52.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -57.54 120.11 7.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 37.4 pt -126.64 140.6 37.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 111.112 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 144.16 53.57 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.365 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . 0.444 ' HB2' ' CD2' ' A' ' 144' ' ' LEU . 53.2 Cg_endo -69.79 145.19 56.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.633 2.222 . . . . 0.0 112.341 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -75.69 -10.85 59.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' A' ' 142' ' ' PRO . 0.6 OUTLIER -97.36 20.67 11.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.851 0.357 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -90.16 6.09 44.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -114.23 30.65 7.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.3 p -75.88 101.83 5.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 31.0 p -117.02 87.08 2.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -81.17 145.03 31.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.49 -56.36 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 60.48 45.4 96.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 168.73 77.37 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.54 138.4 10.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -84.94 31.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.727 0.299 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -116.61 123.45 47.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.471 ' CG2' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -133.14 -32.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.425 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 66.49 43.27 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 87' ' ' LEU . 16.7 pt-20 -124.9 -29.58 3.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -31.26 -44.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.58 110.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.24 -36.09 4.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -65.14 159.15 24.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.3 t -104.79 134.02 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.91 160.45 17.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -109.28 125.97 52.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.408 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 3.2 m -66.69 120.55 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.5 m -98.63 -20.38 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.169 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 97' ' ' ILE . 11.8 tmtt? -174.06 147.94 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.466 ' N ' ' HD3' ' A' ' 96' ' ' LYS . 3.8 mp -117.22 147.25 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -153.16 131.04 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -43.02 -52.79 5.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -56.74 -38.17 72.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.548 ' CD2' HD12 ' A' ' 112' ' ' ILE . 57.1 p-80 -173.47 159.36 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.49 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.3 m-85 -102.4 148.98 24.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.29 105.58 15.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 111' ' ' TRP . 1.1 t -112.9 129.96 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -94.41 104.55 16.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.482 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 21.3 t -106.16 130.42 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 47.48 36.42 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.8 30.17 60.05 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.548 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -145.65 118.04 8.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -58.73 149.28 26.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.561 ' CE3' HD11 ' A' ' 135' ' ' LEU . 82.0 m95 -137.07 178.09 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.548 HD12 ' CD2' ' A' ' 101' ' ' HIS . 50.3 mm -121.75 99.32 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 135' ' ' LEU . . . -124.8 160.83 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.49 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 5.6 p90 -133.18 122.03 23.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.0 t -130.52 142.1 50.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.97 -18.71 42.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.82 119.14 19.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -49.47 100.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 42.3 mt -87.09 164.62 16.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 m -139.74 133.28 30.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.1 mp -42.81 112.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.14 0.73 31.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.408 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 3.1 t70 -80.33 143.19 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.835 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -91.3 124.97 35.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.68 149.37 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.403 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 32.4 ttm -111.73 150.48 30.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.431 ' CG1' ' HB2' ' A' ' 135' ' ' LEU . 59.3 t -78.21 100.68 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 138' ' ' LYS . 2.1 t -64.38 -39.11 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -165.08 154.95 13.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.6 p -157.69 127.25 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -103.66 -27.5 12.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.91 -93.38 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.0 tp -108.28 28.16 8.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -140.66 105.12 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.612 ' CD1' ' N ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -109.26 85.47 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -38.67 112.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 16.4 m -107.68 129.47 61.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 128' ' ' VAL . 19.8 mtmm -127.54 151.37 48.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -56.43 132.38 51.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.2 pt -125.98 140.13 36.04 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.624 0.726 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 147.63 63.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 176.92 6.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.258 . . . . 0.0 112.322 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -83.3 -40.1 19.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 145' ' ' GLU . 26.8 mt -41.64 -32.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 144' ' ' LEU . 20.7 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 73' ' ' ARG . 20.6 mtm-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 72' ' ' ARG . 30.9 ptt-85 -36.65 -50.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -142.32 140.3 32.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.2 p -47.98 107.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.0 m -100.84 47.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.165 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -121.54 44.72 2.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 9.6 mm -58.63 -53.98 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.7 64.5 3.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -109.31 -99.09 2.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -152.88 -129.36 1.41 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.555 ' HB3' ' CZ2' ' A' ' 111' ' ' TRP . 7.6 mttm -106.2 -15.27 14.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -83.03 21.08 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.8 t -68.51 -12.62 61.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.4 t80 57.16 41.67 26.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 87' ' ' LEU . 5.7 mm-40 -120.18 -22.93 6.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -36.75 -37.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 129.51 42.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.82 -29.47 6.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -71.59 168.05 18.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.427 ' CG1' ' HG2' ' A' ' 124' ' ' ARG . 56.0 t -119.22 124.57 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -118.01 -170.17 14.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.451 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -134.93 128.75 33.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.451 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 4.4 m -58.3 128.85 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.7 m -111.82 -11.28 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 103' ' ' LEU . 10.3 ttpp -173.67 150.67 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.551 HG23 ' CD2' ' A' ' 102' ' ' TYR . 5.2 mp -130.26 140.59 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -153.88 130.84 10.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -43.44 -50.88 6.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.64 -38.13 80.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 48.6 p-80 -168.55 157.8 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.575 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.2 m-85 -108.42 146.62 32.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 96' ' ' LYS . 8.8 tp -103.11 103.46 13.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.3 t -110.17 125.32 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -91.35 105.42 17.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.536 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 70.7 t -106.47 126.49 62.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 50.66 39.62 22.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.95 34.24 65.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.418 ' CG ' ' HG2' ' A' ' 82' ' ' LYS . 53.0 m-20 -145.7 121.72 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.872 0.368 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -63.76 143.03 58.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.555 ' CZ2' ' HB3' ' A' ' 82' ' ' LYS . 96.9 m95 -136.19 166.11 24.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 mp -111.18 89.85 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -114.88 166.58 11.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.575 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.0 p90 -138.67 130.59 28.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.9 t -121.41 131.1 53.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -27.93 69.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 118' ' ' LYS . 13.7 pt-20 -100.05 110.91 23.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' GLU . 0.3 OUTLIER -35.98 133.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.9 mt -105.99 168.9 8.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.55 143.99 49.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.813 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.99 125.45 23.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 97.22 3.91 58.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.451 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 42.1 m-20 -87.19 131.63 34.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.788 0.328 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.427 ' HG2' ' CG1' ' A' ' 91' ' ' VAL . 18.2 ttt180 -80.51 130.86 35.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 22.5 m -133.89 152.8 35.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 28.7 ttm -118.76 126.45 51.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 46.2 t -54.98 124.56 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.419 ' CG1' ' HB3' ' A' ' 136' ' ' LYS . 14.3 p -93.23 -33.33 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -156.86 145.51 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 135' ' ' LEU . 74.2 t -128.36 137.02 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -119.57 -7.86 10.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 146.34 -100.82 0.23 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.505 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.505 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.2 OUTLIER -79.0 -1.2 34.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.941 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.427 ' HD2' ' C ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -131.24 163.21 28.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.51 HD22 ' CD2' ' A' ' 111' ' ' TRP . 0.3 OUTLIER -165.71 107.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.419 ' HB3' ' CG1' ' A' ' 128' ' ' VAL . 25.9 ttmt -54.39 141.26 31.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 28.2 m -120.78 141.23 42.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -117.15 125.59 51.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -58.76 122.06 12.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 30.5 pt -124.76 139.95 34.49 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.638 0.733 . . . . 0.0 111.084 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 167.46 24.38 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.291 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 175.29 8.33 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 2.273 . . . . 0.0 112.328 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -96.76 -30.65 13.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.08 -24.62 0.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.888 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.807 0.337 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -45.42 -42.18 10.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -131.14 141.04 50.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 t -101.16 125.21 47.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 77' ' ' ASP . 7.9 m -89.5 -45.22 9.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 76' ' ' THR . 37.4 m-20 -34.49 133.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.7 mt -61.08 -55.35 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 107.81 96.9 2.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -106.08 136.03 13.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.07 161.72 11.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -84.53 29.44 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.477 ' CD1' HD21 ' A' ' 133' ' ' LEU . 3.1 m-30 -113.4 97.52 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.9 t -100.21 -9.48 22.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.472 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 42.47 44.87 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -125.73 -12.66 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.507 HD12 ' CZ2' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -43.3 -37.15 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -45.97 113.79 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.48 -34.99 5.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -74.96 155.67 37.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 125' ' ' VAL . 8.9 p -115.81 137.65 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -120.13 -166.04 13.08 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.51 125.03 39.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.449 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 3.5 m -63.03 100.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.4 m -79.44 -26.76 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -167.52 154.34 8.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.563 HG21 ' CD2' ' A' ' 102' ' ' TYR . 4.3 mp -125.03 137.49 57.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -144.79 131.15 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.089 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -43.73 -52.54 6.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.85 -39.03 76.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -169.42 152.79 4.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.563 ' CD2' HG21 ' A' ' 97' ' ' ILE . 1.5 m-85 -99.81 145.74 27.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -102.81 103.49 13.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.4 t -111.75 127.53 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -90.12 106.1 18.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.536 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 48.0 t -107.65 114.64 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 62.11 31.78 17.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 76.89 33.01 47.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.442 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 37.2 m-20 -145.75 116.12 7.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -58.51 140.71 53.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.536 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 91.6 m95 -130.47 179.25 6.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.467 HD13 ' N ' ' A' ' 112' ' ' ILE . 4.0 mp -122.12 98.31 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -130.56 167.98 17.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.06 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.563 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.4 p90 -131.04 141.48 50.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.1 p -121.16 136.9 54.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -73.0 -20.62 60.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -116.68 111.36 19.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -39.21 101.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.0 mt -68.7 -178.52 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.01 135.04 47.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.7 mt -48.3 121.81 4.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 95.65 4.79 60.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.51 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.449 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 37.8 m-20 -87.67 129.59 35.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -76.32 138.83 40.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 91' ' ' VAL . 33.7 m -144.4 147.54 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.6 ttp -112.39 144.52 41.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.7 t -66.53 95.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.468 HG22 ' CD ' ' A' ' 138' ' ' LYS . 1.9 t -59.14 -37.47 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -170.42 168.73 7.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.409 ' CG2' HD12 ' A' ' 135' ' ' LEU . 1.4 p -167.25 119.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -88.9 -23.01 22.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.12 -98.71 0.15 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -101.52 -0.94 34.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 0.0 110.924 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.405 ' C ' ' CD1' ' A' ' 135' ' ' LEU . 15.6 mmtm -100.21 118.97 37.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -112.62 93.13 4.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.905 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -53.45 119.19 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.465 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 20.1 m -104.34 135.62 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.468 ' CD ' HG22 ' A' ' 128' ' ' VAL . 20.3 mtpt -133.16 138.52 46.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -50.68 128.49 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 5.5 pt -127.0 137.76 31.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.656 0.741 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 147.0 62.11 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -174.46 0.92 Allowed 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.674 2.249 . . . . 0.0 112.373 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -123.5 33.84 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.3 pp -50.16 -27.27 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.954 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.452 ' HD3' ' N ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -91.1 -49.61 6.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -131.93 172.37 12.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.9 t -170.01 129.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.14 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.0 t -118.43 -21.76 7.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -94.9 129.6 41.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 79' ' ' GLY . 66.8 mt -84.18 -59.75 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 78' ' ' ILE . . . 35.62 61.41 0.72 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.529 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -107.24 106.4 2.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.47 -164.8 19.41 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -84.56 26.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -119.02 112.36 19.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.8 t -123.71 -22.04 5.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.5 t80 58.58 42.45 20.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 87' ' ' LEU . 6.2 mm-40 -124.91 -24.64 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.513 ' HG ' ' CE2' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -34.49 -41.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.466 ' HA ' ' CG1' ' A' ' 127' ' ' VAL . 7.7 ttpm? -45.75 134.93 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.82 -42.95 3.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -65.44 171.11 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.4 t -117.67 136.66 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.65 178.16 16.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.78 132.15 54.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.463 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 15.3 m -71.88 95.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.4 m -72.08 -26.77 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.46 ' HA ' ' CD1' ' A' ' 121' ' ' LEU . 12.9 ttpp -163.67 162.03 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.509 HG23 ' CE2' ' A' ' 102' ' ' TYR . 49.5 mt -137.35 133.41 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.65 138.91 32.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.444 ' C ' ' OE1' ' A' ' 99' ' ' GLU . 1.8 tm-20 -49.33 -50.86 37.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -59.9 -38.19 81.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -167.13 163.01 15.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.509 ' CE2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -113.68 145.92 40.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 103' ' ' LEU . 3.9 mm? -102.92 106.81 17.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.2 t -114.83 121.52 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -87.84 109.94 20.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.483 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 61.3 t -115.16 136.18 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.422 ' N ' HG11 ' A' ' 106' ' ' VAL . 0.3 OUTLIER 44.65 36.65 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.2 34.19 64.52 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -145.71 123.05 11.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.88 0.372 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -62.46 140.99 58.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.513 ' CE2' ' HG ' ' A' ' 87' ' ' LEU . 91.5 m95 -134.98 155.41 50.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.06 93.18 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -110.48 168.38 9.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.455 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.5 p90 -131.8 131.05 42.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.455 ' OG ' ' CE2' ' A' ' 102' ' ' TYR . 16.9 p -121.72 137.06 54.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.75 -15.05 58.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -116.58 111.11 19.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -40.45 105.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.412 ' HB2' ' CD1' ' A' ' 97' ' ' ILE . 70.9 mt -74.71 -176.8 2.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.57 139.91 52.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.46 ' CD1' ' HA ' ' A' ' 96' ' ' LYS . 4.0 mm? -56.19 119.25 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 97.62 5.88 57.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.463 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 10.4 t0 -79.91 140.93 36.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.357 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.5 ttp85 -89.97 131.1 36.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.454 ' CG2' ' HB ' ' A' ' 137' ' ' VAL . 24.2 m -139.87 150.37 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 45.2 ttm -112.65 137.17 51.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 40.1 t -61.27 120.25 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 136' ' ' LYS . 7.9 p -87.9 -35.39 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 128' ' ' VAL . 4.5 m-20 -175.3 146.08 0.8 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.417 ' O ' ' CG2' ' A' ' 130' ' ' VAL . 0.8 OUTLIER -118.05 131.56 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.07 28.09 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 116.32 -80.88 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.3 tp -119.87 17.08 12.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -154.33 105.01 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.434 HD12 ' C ' ' A' ' 135' ' ' LEU . 0.4 OUTLIER -103.94 166.66 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.467 ' HB2' ' CG1' ' A' ' 128' ' ' VAL . 6.4 mtpm? -104.25 140.73 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.454 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 27.6 m -114.59 138.98 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -119.73 130.56 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -58.05 123.27 15.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 19.8 pt -124.01 139.89 33.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 148.88 66.34 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.272 . . . . 0.0 112.353 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 174.43 9.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -129.64 80.46 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.6 mt 43.18 27.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.806 0.336 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -89.14 -42.19 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -87.3 176.59 7.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 m 42.66 41.11 2.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.6 m -95.37 -51.47 4.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -66.01 126.78 29.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.5 mm -97.67 -46.57 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.14 101.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -159.99 116.53 0.72 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.56 -179.69 2.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.546 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -100.93 -23.17 14.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.739 0.304 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.677 ' CD1' ' N ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -97.72 93.86 6.62 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.933 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.4 t -117.65 -2.59 11.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.535 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.2 t80 54.25 43.37 30.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -122.71 -18.5 6.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -38.57 -35.49 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -46.79 129.89 11.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.7 -36.71 2.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -66.42 156.88 33.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 92' ' ' GLY . 8.0 p -113.76 138.73 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.444 ' N ' HG23 ' A' ' 91' ' ' VAL . . . -126.88 -167.3 12.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.79 127.23 41.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.772 0.32 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.435 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 3.4 m -66.13 124.5 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.411 HG22 ' CD ' ' A' ' 110' ' ' LYS . 26.3 m -96.48 -30.59 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.404 ' N ' HG21 ' A' ' 95' ' ' VAL . 33.1 tttp -163.11 158.24 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.5 HG21 ' CE2' ' A' ' 102' ' ' TYR . 20.6 mt -127.76 138.77 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.402 ' N ' HG23 ' A' ' 97' ' ' ILE . . . -150.01 130.34 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -42.05 -52.33 4.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -56.04 -38.83 71.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -171.65 159.06 5.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.515 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.2 m-85 -110.27 149.51 30.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.5 mt -107.66 110.87 22.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -117.5 128.98 74.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -88.25 111.98 22.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.459 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 65.7 t -116.46 115.0 47.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 63.58 26.46 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 85.92 27.35 31.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.469 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 27.8 m-20 -145.72 117.93 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.837 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.411 ' CD ' HG22 ' A' ' 95' ' ' VAL . 18.6 mtmt -64.36 141.91 58.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.469 ' CD1' ' O ' ' A' ' 109' ' ' ASP . 89.5 m95 -127.52 178.6 5.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.439 HD13 ' N ' ' A' ' 112' ' ' ILE . 3.1 mp -113.98 96.63 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -116.14 158.03 23.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.515 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.3 p90 -130.19 121.6 26.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.1 t -130.77 126.14 35.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -62.64 -25.43 68.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -83.24 116.3 22.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.73 101.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.4 ' C ' ' CD1' ' A' ' 97' ' ' ILE . 22.4 mt -76.29 -176.65 3.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.15 133.88 26.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.3 mp -47.37 119.97 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.33 1.86 50.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.487 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.435 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 69.7 m-20 -84.23 126.31 33.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.752 0.311 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -75.39 124.09 26.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 18.8 m -131.87 143.49 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 4.3 ttm -102.81 138.58 39.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.52 115.77 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.6 t -76.07 -43.63 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -163.15 162.53 25.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.403 ' CG2' ' HB3' ' A' ' 135' ' ' LEU . 79.6 t -125.77 120.04 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.12 28.17 7.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 122.71 -112.82 2.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.51 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.1 OUTLIER -82.5 -1.9 51.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.03 178.62 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.451 HD22 ' CD2' ' A' ' 111' ' ' TRP . 0.4 OUTLIER -173.63 127.89 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -63.93 160.92 16.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.1 m -144.65 138.78 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -125.71 124.99 42.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -52.61 133.34 36.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 31.2 pt -126.73 143.12 45.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 147.1 62.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 177.12 5.9 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -119.51 76.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.6 mt 44.92 25.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.813 0.339 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -83.31 4.95 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -96.05 151.43 19.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.0 p -126.23 127.73 46.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.8 t -170.81 118.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -72.53 144.61 47.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.1 mt -95.68 -42.54 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.89 -77.35 0.31 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.56 150.15 17.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 179.72 128.94 1.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -100.38 17.2 22.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-30 -95.33 107.98 20.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.401 ' OG1' ' CD ' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -129.37 -6.89 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.124 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.549 ' CE1' ' O ' ' A' ' 130' ' ' VAL . 1.0 OUTLIER 42.56 47.11 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 88' ' ' LYS . 22.7 pt-20 -121.88 -28.91 4.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -32.36 -35.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 86' ' ' GLU . 9.7 tttp -62.65 131.5 49.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.14 -26.84 17.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -86.61 170.43 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.7 t -118.32 128.93 75.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -116.66 -172.2 16.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.88 126.87 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.886 0.374 . . . . 0.0 110.835 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 123' ' ' ASP . 6.6 m -68.51 116.55 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 103' ' ' LEU . 18.9 m -92.57 -30.66 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.424 ' C ' HG13 ' A' ' 97' ' ' ILE . 14.0 mtpp -154.07 173.61 15.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.424 HG13 ' C ' ' A' ' 96' ' ' LYS . 46.0 mt -145.81 132.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 101' ' ' HIS . . . -143.34 133.31 24.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -46.14 -50.91 14.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.11 -36.45 79.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.402 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 49.3 p-80 -168.53 152.65 5.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.2 m-85 -104.12 150.89 23.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.423 ' HB3' ' CG2' ' A' ' 95' ' ' VAL . 4.3 mm? -104.22 108.55 19.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -118.56 127.76 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -90.35 115.45 27.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.521 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 46.7 t -121.16 127.91 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 55.77 29.62 14.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.61 27.65 56.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.402 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 0.8 OUTLIER -145.67 119.93 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -59.61 144.84 46.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.564 ' CE3' HD11 ' A' ' 135' ' ' LEU . 86.8 m95 -133.15 176.45 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.9 mp -116.44 101.86 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.407 ' HB3' ' CD2' ' A' ' 135' ' ' LEU . . . -128.18 163.17 25.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.571 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 3.9 p90 -133.77 132.93 41.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.3 t -123.25 136.98 54.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -67.42 -23.65 65.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 9.3 pt-20 -104.03 113.96 27.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -47.98 107.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 10.1 mt -78.45 -176.12 4.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.31 133.9 41.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.4 mp -51.02 126.01 15.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.67 -1.78 55.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.439 ' O ' ' CG2' ' A' ' 94' ' ' VAL . 2.4 t70 -88.55 139.24 30.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.0 ptt-85 -84.25 140.03 31.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 30.9 m -144.32 151.15 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 34.1 ttm -111.94 134.89 53.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 86.1 t -64.72 102.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.91 -36.55 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -171.25 154.6 4.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.549 ' O ' ' CE1' ' A' ' 85' ' ' PHE . 7.7 p -156.53 127.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -109.56 -15.25 14.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -167.16 -93.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.7 mt -111.0 18.27 19.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -128.72 95.61 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.564 HD11 ' CE3' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -103.56 80.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 135' ' ' LEU . 17.7 mttm -37.11 126.34 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.3 m -113.99 129.29 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -122.15 138.81 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 -59.51 132.03 52.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 30.0 pt -126.14 148.78 64.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.593 0.711 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.68 18.35 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.38 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.18 5.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.357 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 145' ' ' GLU . 17.9 tm0? -86.27 -48.87 8.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 143' ' ' GLN . 3.3 pp -35.59 -31.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 143' ' ' GLN . 6.7 pt-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -45.81 -49.75 14.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 73' ' ' ARG . 15.6 pt-20 -35.07 130.9 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.5 p -87.44 44.58 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.4 m -89.64 50.13 1.85 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -115.67 162.37 17.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 8.9 mt -111.53 36.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.2 124.88 11.55 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.28 123.97 6.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.457 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.24 137.12 5.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -93.2 41.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -117.88 98.64 6.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 t -88.97 -28.51 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.403 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.0 OUTLIER 64.29 43.31 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 87' ' ' LEU . 20.0 mm-40 -127.72 -29.6 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -30.66 -40.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.931 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.47 ' CB ' HG23 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -47.46 97.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.54 -30.77 8.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.485 ' HE2' ' N ' ' A' ' 87' ' ' LEU . 46.7 mtmt -67.25 161.13 25.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.7 t -109.3 130.48 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.14 -160.59 12.82 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.27 148.88 50.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 123' ' ' ASP . 2.2 t -88.43 112.47 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.502 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 17.4 m -98.24 -38.65 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 97' ' ' ILE . 1.6 tmmm? -154.81 154.31 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.566 HG23 ' CD2' ' A' ' 102' ' ' TYR . 4.2 mp -130.07 141.81 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -153.63 133.26 12.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -48.03 -45.87 32.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -63.47 -34.82 78.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -173.17 151.96 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.1 m-85 -105.91 143.71 33.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -101.88 103.32 13.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.446 HG11 ' CG2' ' A' ' 125' ' ' VAL . 1.5 t -110.66 119.8 60.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -85.11 102.21 13.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.532 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 41.4 t -103.87 116.83 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 57.98 37.03 26.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.54 31.49 56.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 16.4 m-20 -145.79 112.58 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.391 . . . . 0.0 110.83 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -60.46 137.77 58.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.532 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 93.1 m95 -124.95 171.37 10.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.3 mp -113.43 88.15 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -108.95 156.78 19.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.495 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 1.5 p90 -127.1 121.44 31.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 116' ' ' ASP . 33.2 m -135.92 107.65 7.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.803 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 115' ' ' SER . 1.1 m-20 -37.17 -33.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 115' ' ' SER . 45.4 mt-10 -77.72 114.72 16.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 99.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.3 173.09 6.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.492 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 0.7 OUTLIER -122.67 162.65 21.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 95' ' ' VAL . 3.6 mm? -62.04 125.5 24.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 89.59 3.31 74.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.508 ' O ' ' CG2' ' A' ' 94' ' ' VAL . 1.4 m-20 -86.46 100.01 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 -60.14 159.9 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.446 ' CG2' HG11 ' A' ' 104' ' ' VAL . 33.4 m -157.31 145.55 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 35.7 ttp -107.24 128.84 54.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.41 124.38 13.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.8 p -96.92 -32.46 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -148.88 143.18 26.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.47 HG23 ' CB ' ' A' ' 88' ' ' LYS . 70.8 t -128.4 122.51 57.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -115.81 23.61 12.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 113.15 -111.34 2.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 13.0 mt -82.38 19.26 1.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.853 0.358 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -153.65 115.73 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -122.93 125.7 45.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 137' ' ' VAL . 9.3 tmtt? -72.33 137.28 46.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.462 ' N ' ' HD3' ' A' ' 136' ' ' LYS . 12.5 m -121.75 149.39 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -132.69 131.12 40.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.97 133.65 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.8 pt -126.04 142.96 43.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.6 0.714 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 169.86 17.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.352 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 171.71 13.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.346 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -130.53 81.45 2.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.6 mp 42.52 26.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.904 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 74' ' ' GLU . 4.1 ptp180 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.78 0.324 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' ARG . 12.7 ptm180 -37.27 -32.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ARG . 37.0 mp0 -62.36 170.17 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 t -125.04 116.95 22.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.8 t -174.2 115.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -115.57 109.8 18.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 79' ' ' GLY . 8.6 mt 51.85 37.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 78' ' ' ILE . . . -34.85 -81.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.61 68.01 0.23 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.494 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -131.27 145.42 16.98 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -98.44 39.66 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -110.78 120.37 42.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.414 HG22 ' CD ' ' A' ' 107' ' ' GLU . 9.2 t -124.25 -12.72 7.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.492 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.1 t80 45.37 42.95 8.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -121.61 -25.13 5.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.434 ' CD1' ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -39.9 -34.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.95 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -41.75 106.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.98 -36.57 3.89 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' LEU . 72.2 mttt -57.77 156.59 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 92' ' ' GLY . 75.3 t -105.29 134.99 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.404 ' N ' HG11 ' A' ' 91' ' ' VAL . . . -125.7 176.35 17.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -119.75 138.47 53.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.451 ' CG2' ' H ' ' A' ' 123' ' ' ASP . 3.5 m -77.23 84.81 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.451 ' CG2' ' HE3' ' A' ' 110' ' ' LYS . 16.5 m -64.16 -18.61 23.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -173.13 152.29 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.566 HG22 ' CD2' ' A' ' 102' ' ' TYR . 5.1 mp -124.7 140.16 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -149.79 132.46 15.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -45.85 -50.17 14.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -36.49 76.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -170.33 158.7 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CD2' HG22 ' A' ' 97' ' ' ILE . 1.3 m-85 -107.69 151.38 25.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.6 mt -109.17 110.68 21.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.432 HG11 ' CG2' ' A' ' 125' ' ' VAL . 1.2 t -122.78 117.68 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.451 ' OE2' ' C ' ' A' ' 108' ' ' GLY . 8.1 tp10 -79.95 102.12 9.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 16.7 t -108.4 136.84 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 106' ' ' VAL . 7.3 pt-20 50.65 28.24 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.451 ' C ' ' OE2' ' A' ' 105' ' ' GLU . . . 79.64 29.76 46.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.431 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -146.21 128.76 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.451 ' HE3' ' CG2' ' A' ' 95' ' ' VAL . 34.7 mtpt -68.86 120.59 15.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.569 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 90.2 m95 -110.75 174.29 5.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.442 HD12 ' N ' ' A' ' 112' ' ' ILE . 3.1 mp -115.13 95.98 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -111.36 162.96 14.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.559 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.8 p90 -137.04 122.1 19.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.9 t -123.23 127.13 48.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -23.86 67.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.82 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -92.62 114.16 26.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.61 122.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.1 mt -97.31 160.22 14.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.965 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 123' ' ' ASP . 0.8 OUTLIER -119.77 134.12 55.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 7.5 mt -48.55 127.22 12.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 93.14 2.84 65.89 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.451 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 20.2 m-20 -82.6 122.71 28.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -76.14 120.25 21.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.432 ' CG2' HG11 ' A' ' 104' ' ' VAL . 25.0 m -125.76 150.72 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 34.7 ttp -111.52 143.04 43.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 45.6 t -66.5 108.89 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.7 t -72.74 -39.42 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -175.84 141.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 135' ' ' LEU . 0.9 OUTLIER -118.98 133.28 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -100.92 3.44 41.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 149.63 -76.12 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.7 mt -117.06 -3.07 11.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -120.26 97.58 5.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.551 HD23 ' CE3' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -92.46 118.78 31.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.894 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.426 ' C ' HG11 ' A' ' 137' ' ' VAL . 0.2 OUTLIER -55.0 169.73 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.426 HG11 ' C ' ' A' ' 136' ' ' LYS . 33.3 m -150.75 132.79 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.14 128.91 52.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -61.4 116.03 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 45.5 pt -118.11 137.66 24.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 148.14 63.97 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 174.63 9.21 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.73 2.287 . . . . 0.0 112.305 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -82.85 -47.27 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.0 mp -78.16 45.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.604 HG23 ' HG2' ' A' ' 86' ' ' GLU . 1.8 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.82 0.343 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 40.73 49.34 2.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.604 ' HG2' HG23 ' A' ' 84' ' ' THR . 23.4 pt-20 -125.27 -24.39 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.669 HD13 ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -39.27 -34.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.886 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.18 112.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.53 -30.55 10.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -72.56 160.98 31.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.7 t -105.67 129.9 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.17 165.33 14.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.9 140.87 43.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.347 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 123' ' ' ASP . 4.7 m -83.17 102.74 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.44 HG21 ' CG ' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -83.18 -20.68 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -166.09 149.5 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.918 HG23 ' CD2' ' A' ' 102' ' ' TYR . 5.3 mp -128.17 145.31 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -156.55 130.27 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.86 -53.72 3.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -55.41 -35.55 65.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.639 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 56.1 p-80 -174.78 152.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.918 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.1 m-85 -103.71 151.67 22.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.953 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' A' ' 110' ' ' LYS . 3.3 mm? -109.5 103.21 12.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.569 HG21 HG11 ' A' ' 137' ' ' VAL . 1.5 t -109.02 109.37 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -73.18 99.98 2.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.564 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 39.3 t -108.76 136.1 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 106' ' ' VAL . 3.8 pt-20 51.36 25.0 2.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.73 29.07 33.24 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -146.15 125.87 13.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.516 ' HB3' HD12 ' A' ' 103' ' ' LEU . 10.5 mtmm -71.57 116.15 11.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.564 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 91.4 m95 -100.43 179.03 4.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.55 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.1 mp -117.5 91.23 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -116.79 166.06 12.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.567 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -136.04 130.07 32.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t -119.93 132.4 55.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.18 -20.41 64.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.34 111.21 23.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -39.46 125.62 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.88 172.55 7.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.449 ' CB ' ' OD2' ' A' ' 123' ' ' ASP . 0.7 OUTLIER -123.89 137.78 54.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.5 mt -47.62 120.05 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.61 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 93.02 5.76 63.84 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.666 ' O ' HG22 ' A' ' 94' ' ' VAL . 63.5 m-20 -77.47 131.74 38.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.8 mtm-85 -79.4 132.18 36.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.475 ' CG2' ' HB ' ' A' ' 137' ' ' VAL . 9.3 m -141.0 143.47 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 36.6 ttp -109.05 133.69 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.506 HG13 ' HB2' ' A' ' 135' ' ' LEU . 86.4 t -67.75 114.85 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 136' ' ' LYS . 6.7 p -77.62 -35.95 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -163.25 156.26 18.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.609 HG22 ' HB3' ' A' ' 135' ' ' LEU . 18.9 t -125.83 122.83 62.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.22 44.51 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.05 -91.47 0.9 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.466 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 22.2 mt -103.15 3.55 35.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -124.67 141.56 52.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.609 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -136.8 108.54 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.53 ' O ' HG12 ' A' ' 128' ' ' VAL . 0.2 OUTLIER -59.73 126.13 26.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.569 HG11 HG21 ' A' ' 104' ' ' VAL . 35.3 m -109.01 143.7 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 140' ' ' ILE . 39.1 mtmt -131.24 117.63 19.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -46.9 135.11 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 138' ' ' LYS . 36.0 pt . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.799 0.333 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 3.0 t80 61.51 41.4 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 87' ' ' LEU . 57.4 mm-40 -124.45 -22.7 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.641 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -34.95 -36.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 86' ' ' GLU . 18.5 tttt -48.59 115.44 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.47 -32.19 6.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.508 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -66.93 155.66 37.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 125' ' ' VAL . 21.3 t -107.1 140.23 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.84 175.72 19.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -116.31 121.32 41.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 123' ' ' ASP . 4.5 m -63.51 106.76 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.707 HG21 ' CD ' ' A' ' 110' ' ' LYS . 19.6 m -81.82 -19.55 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.657 ' HA ' HD11 ' A' ' 121' ' ' LEU . 20.8 ttpt -173.02 163.19 4.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.701 HG23 ' CD2' ' A' ' 102' ' ' TYR . 21.2 mt -133.19 142.99 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -151.79 134.6 15.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -47.54 -50.3 24.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -60.14 -33.47 72.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.713 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 35.8 p-80 -174.18 159.29 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.701 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.3 m-85 -109.65 154.13 23.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -110.65 110.19 20.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.569 HG21 HG11 ' A' ' 137' ' ' VAL . 1.2 t -117.57 122.32 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -83.76 113.25 20.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.495 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 58.9 t -120.44 116.32 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 62.85 27.5 16.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.29 27.27 40.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 7.9 m-20 -145.58 114.53 6.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.707 ' CD ' HG21 ' A' ' 95' ' ' VAL . 14.8 mtmm -63.75 136.76 57.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.612 ' HB3' HD21 ' A' ' 135' ' ' LEU . 81.8 m95 -117.87 177.08 4.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.4 mp -116.53 93.06 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -121.34 164.85 16.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.576 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.0 p90 -135.2 126.98 29.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.1 t -123.13 128.58 50.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.05 -27.34 65.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -88.64 115.56 26.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -52.68 97.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 42.8 mt -66.96 -177.74 0.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.3 134.91 31.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.657 HD11 ' HA ' ' A' ' 96' ' ' LYS . 4.6 mm? -44.81 121.29 2.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.603 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 93.57 4.81 63.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.537 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.626 ' O ' HG22 ' A' ' 94' ' ' VAL . 41.7 m-20 -82.7 122.54 28.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -72.45 127.01 31.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.636 ' O ' HG13 ' A' ' 91' ' ' VAL . 34.7 m -131.37 164.58 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 51.0 ttm -130.31 142.84 50.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.583 HG13 ' HB2' ' A' ' 135' ' ' LEU . 38.3 t -75.81 103.57 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 136' ' ' LYS . 3.2 p -78.78 -16.29 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -175.28 152.68 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.2 p -164.2 134.31 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -128.74 50.5 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 133.93 -98.16 0.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 29.0 mt -115.48 -1.29 12.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -108.63 99.8 9.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.651 HD23 ' N ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -105.9 105.86 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.568 ' O ' HG12 ' A' ' 128' ' ' VAL . 32.5 mttt -57.97 114.93 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.569 HG11 HG21 ' A' ' 104' ' ' VAL . 27.5 m -102.73 150.16 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -139.24 134.24 32.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -57.97 122.76 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.0 pt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 111.139 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 85' ' ' PHE . 10.0 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.79 0.328 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.0 t80 37.18 41.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -123.21 -18.45 6.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.682 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -41.44 -40.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -46.66 120.64 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.29 -31.43 5.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -71.13 151.62 44.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.353 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 125' ' ' VAL . 6.6 p -109.31 137.77 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.78 -164.63 12.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -131.19 130.06 42.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 123' ' ' ASP . 2.8 m -65.43 103.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.519 HG21 ' HE2' ' A' ' 110' ' ' LYS . 34.7 m -77.01 -30.37 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.186 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.459 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 6.4 tttp -170.68 160.06 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.48 HG23 ' CD2' ' A' ' 102' ' ' TYR . 44.0 mt -124.21 148.79 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -142.03 156.83 45.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -63.41 -46.15 87.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.49 -36.07 82.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.723 ' CE1' HG22 ' A' ' 112' ' ' ILE . 2.1 t-80 -169.05 -175.56 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 0.9 OUTLIER -118.13 152.89 34.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.631 HD12 ' HD3' ' A' ' 110' ' ' LYS . 3.2 mm? -106.58 116.35 31.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.542 HG21 ' HB3' ' A' ' 113' ' ' ALA . 1.1 t -121.1 121.89 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.499 ' HB2' HG11 ' A' ' 95' ' ' VAL . 10.5 tt0 -87.68 106.72 18.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.56 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 41.3 t -109.77 119.39 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 62.27 30.93 17.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.03 30.13 48.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -145.72 123.99 12.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.631 ' HD3' HD12 ' A' ' 103' ' ' LEU . 60.9 mttt -62.24 142.85 57.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.56 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 90.7 m95 -134.31 172.04 13.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.723 HG22 ' CE1' ' A' ' 101' ' ' HIS . 4.5 mp -109.5 100.08 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.716 ' C ' ' CE1' ' A' ' 101' ' ' HIS . . . -122.5 153.66 38.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.514 ' CD1' ' N ' ' A' ' 114' ' ' TYR . 0.6 OUTLIER -119.74 129.12 54.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 p -117.86 134.41 54.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -75.11 -18.83 60.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 118' ' ' LYS . 30.3 mt-10 -117.37 111.57 19.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 117' ' ' GLU . 9.0 ptpp? -37.67 105.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.0 mt -74.36 173.31 10.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.414 ' CB ' ' OD2' ' A' ' 123' ' ' ASP . 0.7 OUTLIER -123.26 135.16 54.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 34.3 mt -47.41 120.73 3.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.607 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 97.97 3.69 57.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.544 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.778 ' O ' HG22 ' A' ' 94' ' ' VAL . 78.2 m-20 -84.18 133.31 34.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -82.37 136.12 35.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 139' ' ' ARG . 29.8 m -141.92 144.81 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 31.1 ttp -109.13 134.39 51.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.567 ' CG2' HD12 ' A' ' 135' ' ' LEU . 70.2 t -66.43 121.66 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.5 p -84.9 -35.53 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -162.94 145.69 10.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 1.013 HG22 ' HB3' ' A' ' 135' ' ' LEU . 75.7 t -111.6 118.36 57.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.49 48.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.415 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 97.91 -109.06 3.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -87.57 6.84 32.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -132.25 149.14 52.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 1.013 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -142.77 112.97 7.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -60.62 132.22 53.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 26.8 m -118.24 137.64 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -124.16 122.44 37.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.652 ' HA ' HG12 ' A' ' 125' ' ' VAL . 3.6 ttm-85 -45.93 135.93 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.472 HD11 HG21 ' A' ' 91' ' ' VAL . 31.6 pt . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.731 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.831 0.348 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.0 t80 59.22 43.78 16.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 88' ' ' LYS . 20.5 mt-10 -125.17 -26.52 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.664 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -32.9 -35.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 86' ' ' GLU . 12.5 tptp -41.48 109.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.94 -37.22 3.7 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -62.52 154.47 28.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.461 HG13 HD11 ' A' ' 140' ' ' ILE . 84.1 t -100.13 135.65 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.98 160.19 13.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.535 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.24 133.91 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.71 HG21 ' HB3' ' A' ' 123' ' ' ASP . 92.9 t -72.28 95.99 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 96' ' ' LYS . 19.6 m -78.31 -42.62 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.482 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 22.6 tttp -156.22 170.33 22.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.754 HG23 ' CD2' ' A' ' 102' ' ' TYR . 18.5 mt -142.0 135.91 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -139.19 146.3 40.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -57.3 -47.76 80.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.68 -32.91 74.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.797 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 12.8 p80 -170.02 163.9 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.754 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.3 m-85 -110.61 152.46 26.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 96' ' ' LYS . 27.4 mt -108.22 115.34 29.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -122.15 136.4 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -100.98 103.25 14.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.554 HG11 ' HB3' ' A' ' 87' ' ' LEU . 45.6 t -108.83 129.94 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 49.48 31.83 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.16 34.19 42.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.442 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -141.57 136.38 31.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -82.2 123.33 28.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.472 ' HB3' ' CD1' ' A' ' 135' ' ' LEU . 93.7 m95 -117.97 174.5 6.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.6 mp -116.14 94.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -110.63 163.14 14.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.534 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.7 p90 -137.49 121.47 17.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.8 m -131.87 110.77 11.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -45.72 -32.0 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.42 112.5 10.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -51.53 111.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.464 HD13 HG11 ' A' ' 125' ' ' VAL . 53.6 mt -87.45 -175.77 5.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.952 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.434 ' O ' HG11 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -142.59 151.78 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 30.6 mt -59.62 136.62 58.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.35 1.9 88.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.71 ' HB3' HG21 ' A' ' 94' ' ' VAL . 25.8 t0 -74.89 175.34 8.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -121.18 131.46 54.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.464 HG11 HD13 ' A' ' 119' ' ' LEU . 21.9 m -140.71 134.39 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.46 ' HB2' HG22 ' A' ' 91' ' ' VAL . 25.4 ttm -103.53 149.6 24.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.436 ' N ' ' HG2' ' A' ' 126' ' ' MET . 69.9 t -82.07 122.34 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.712 HG12 ' O ' ' A' ' 136' ' ' LYS . 14.6 p -98.48 -27.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -157.42 146.01 19.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.685 HG22 HD23 ' A' ' 135' ' ' LEU . 43.1 t -127.41 121.02 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -108.56 25.63 11.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.415 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 118.04 -102.55 0.98 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.43 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.6 tp -86.12 -10.43 54.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.883 0.373 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -115.63 138.89 50.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.685 HD23 HG22 ' A' ' 130' ' ' VAL . 0.2 OUTLIER -131.52 105.78 7.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.712 ' O ' HG12 ' A' ' 128' ' ' VAL . 7.6 tmtm? -55.87 108.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 135' ' ' LEU . 6.2 m -104.26 149.5 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -123.69 152.43 42.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -67.38 119.28 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.461 HD11 HG13 ' A' ' 91' ' ' VAL . 12.2 pt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.782 0.325 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.3 t80 47.18 40.74 10.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 87' ' ' LEU . 22.2 mt-10 -123.89 -26.14 4.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.704 HD21 ' CZ2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -35.96 -34.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -50.06 98.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.849 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.22 -29.81 7.13 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.533 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -73.55 167.48 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 125' ' ' VAL . 66.2 t -106.96 138.4 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.38 157.48 18.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -103.03 121.26 42.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 123' ' ' ASP . 4.5 m -65.85 88.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.2 m -66.81 -32.5 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.473 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 41.5 tttt -155.57 165.92 35.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.675 HG23 ' CD2' ' A' ' 102' ' ' TYR . 21.2 mt -137.9 137.62 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -146.15 134.6 21.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -44.6 -52.99 7.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.7 -39.99 74.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.631 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 40.3 p-80 -168.44 162.35 12.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.675 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.0 OUTLIER -108.97 143.87 37.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.11 109.31 22.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.439 HG21 ' HB3' ' A' ' 113' ' ' ALA . 1.2 t -116.96 129.16 73.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -94.82 105.31 17.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.459 HG11 ' HB3' ' A' ' 87' ' ' LEU . 23.2 t -110.71 125.02 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 57.65 30.05 18.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.53 27.35 57.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.454 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -141.49 127.92 20.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -65.64 142.55 58.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.704 ' CZ2' HD21 ' A' ' 87' ' ' LEU . 89.2 m95 -133.95 172.78 12.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 112' ' ' ILE . 5.1 mp -114.8 93.56 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -112.18 150.39 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.482 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 1.7 p90 -122.13 121.7 37.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.0 m -127.61 107.66 10.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -54.36 -28.89 46.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -81.09 111.03 17.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.4 113.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 76.1 mt -91.92 163.14 14.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.48 134.74 54.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.473 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 10.3 mt -53.56 121.6 8.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.588 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 96.57 5.5 58.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.531 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.646 ' O ' HG22 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -80.35 146.26 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.861 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.469 ' HG2' HG11 ' A' ' 91' ' ' VAL . 19.6 ttt180 -92.91 120.08 32.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.737 ' O ' HG13 ' A' ' 91' ' ' VAL . 15.8 m -124.6 160.85 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 43.3 ttm -125.58 131.21 52.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.72 HG13 ' HB2' ' A' ' 135' ' ' LEU . 59.5 t -67.0 126.87 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.73 -32.59 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -146.81 144.97 29.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.794 HG22 ' HB3' ' A' ' 135' ' ' LEU . 11.9 t -133.63 119.23 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -103.63 28.6 6.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.497 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 110.69 -107.73 2.29 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.461 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.2 tp -83.22 20.16 1.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.928 0.394 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.688 ' C ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -159.66 138.39 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.877 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -142.32 148.02 37.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 137' ' ' VAL . 9.6 tmtt? -84.79 140.29 31.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.467 ' N ' ' HD3' ' A' ' 136' ' ' LYS . 17.1 m -121.29 145.21 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -115.38 129.43 56.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -59.56 121.18 10.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 46.9 pt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 111.14 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.842 0.353 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.7 t80 49.89 42.86 24.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 87' ' ' LEU . 10.4 mm-40 -124.91 -24.61 4.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.651 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -34.42 -41.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.402 ' HA ' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -45.85 114.74 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.85 -33.95 6.17 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -72.43 168.07 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 125' ' ' VAL . 44.0 t -112.01 138.62 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.4 171.22 16.57 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.428 ' C ' ' HD2' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -117.28 126.68 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.326 . . . . 0.0 110.953 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.768 HG22 ' O ' ' A' ' 123' ' ' ASP . 4.2 m -68.18 102.22 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.4 m -81.86 -24.22 9.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.861 ' HA ' HD21 ' A' ' 121' ' ' LEU . 27.2 tttp -166.63 152.35 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.475 HG23 ' CD2' ' A' ' 102' ' ' TYR . 4.6 mp -123.99 138.66 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.794 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -144.65 133.1 21.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -46.22 -50.24 16.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -60.89 -38.01 84.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.794 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 32.4 p-80 -168.51 156.76 8.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.58 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.2 m-85 -102.47 149.44 24.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.588 HD12 ' HB3' ' A' ' 96' ' ' LYS . 18.0 mt -104.0 102.89 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -112.12 118.65 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -85.76 111.89 20.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 62.3 t -113.26 132.69 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 45.03 32.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.16 32.69 47.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.445 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 3.0 m-20 -145.65 117.61 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -64.25 141.66 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.718 ' CG ' HD11 ' A' ' 135' ' ' LEU . 95.7 m95 -131.13 173.44 11.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.952 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.483 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.4 mp -114.08 93.14 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -124.16 163.59 21.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.58 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 5.2 p90 -138.19 135.32 35.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.5 m -130.63 114.38 15.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.24 -27.82 1.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -79.76 116.8 20.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -53.34 98.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.9 mt -77.81 168.37 20.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 m -128.44 140.16 51.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.861 HD21 ' HA ' ' A' ' 96' ' ' LYS . 16.7 mt -53.0 120.73 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.596 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 98.79 7.32 55.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.768 ' O ' HG22 ' A' ' 94' ' ' VAL . 1.0 OUTLIER -91.29 134.88 34.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 110.864 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -80.61 141.95 34.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 91' ' ' VAL . 31.9 m -145.96 154.96 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 33.0 ttm -121.85 143.46 49.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.402 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 61.6 t -76.21 117.56 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 136' ' ' LYS . 8.6 p -93.57 -26.44 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -156.58 162.32 39.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.668 HG12 ' H ' ' A' ' 132' ' ' GLY . 79.3 t -144.87 144.89 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -127.64 19.49 6.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.668 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 120.87 -81.76 0.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.44 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.8 tp -101.95 -6.9 22.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.921 0.391 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.44 145.58 37.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.718 HD11 ' CG ' ' A' ' 111' ' ' TRP . 0.3 OUTLIER -135.01 91.51 2.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.563 ' O ' HG12 ' A' ' 128' ' ' VAL . 16.4 tttp -53.04 103.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 135' ' ' LEU . 16.4 m -101.0 155.22 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.123 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -138.03 145.8 42.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.431 ' NH1' ' O ' ' A' ' 140' ' ' ILE . 26.0 tpt85 -57.99 127.08 30.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.431 ' O ' ' NH1' ' A' ' 139' ' ' ARG . 36.6 pt . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.628 0.728 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.528 HG23 ' H ' ' A' ' 86' ' ' GLU . 9.4 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.823 0.344 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.2 t80 59.94 38.73 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.528 ' H ' HG23 ' A' ' 84' ' ' THR . 25.4 mm-40 -124.34 -15.74 6.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.651 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -37.22 -35.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.98 109.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.03 -36.96 3.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -61.81 158.14 16.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.652 HG22 ' HB2' ' A' ' 126' ' ' MET . 86.9 t -111.59 129.06 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.3 -162.32 13.5 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -140.72 120.52 13.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.518 HG23 ' H ' ' A' ' 122' ' ' GLY . 9.0 m -58.76 118.99 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 96' ' ' LYS . 33.8 m -98.66 -43.06 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.533 ' HB3' HD12 ' A' ' 103' ' ' LEU . 9.1 ttpt -146.59 155.16 42.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.504 HG23 ' CD2' ' A' ' 102' ' ' TYR . 19.6 mt -124.42 146.94 29.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -159.25 130.98 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.61 -48.61 10.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.92 -36.71 77.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.64 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 16.9 p80 -173.05 160.62 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.0 OUTLIER -109.46 145.91 35.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 96' ' ' LYS . 26.9 mt -101.23 118.36 36.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.647 HG21 HG11 ' A' ' 137' ' ' VAL . 1.3 t -126.02 120.42 56.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -85.77 106.57 17.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.551 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 38.6 t -105.12 131.22 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 43.6 37.8 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.98 33.47 57.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.525 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 3.8 m-20 -145.92 117.36 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -57.94 147.0 30.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.643 ' CZ2' HD11 ' A' ' 87' ' ' LEU . 96.7 m95 -141.33 174.24 10.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 44.4 mm -118.94 100.01 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.453 ' CB ' HG13 ' A' ' 137' ' ' VAL . . . -120.26 158.68 26.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.568 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.1 p90 -131.18 126.09 34.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.8 t -119.96 131.95 55.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -66.82 -25.09 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 118' ' ' LYS . 12.4 pt-20 -101.71 114.27 28.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 117' ' ' GLU . 39.6 mtmt -37.1 113.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.2 mt -81.85 -175.17 5.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.448 ' O ' HG21 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -124.51 -174.81 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.419 HD22 ' O ' ' A' ' 95' ' ' VAL . 78.3 mt -108.59 119.59 39.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.518 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 93.23 -1.07 69.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.553 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.472 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 4.6 t70 -73.79 165.91 24.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -104.47 125.33 50.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.2 m -131.92 159.16 43.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.652 ' HB2' HG22 ' A' ' 91' ' ' VAL . 35.0 ttm -126.87 145.26 50.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.606 HG13 ' HB2' ' A' ' 135' ' ' LEU . 59.4 t -69.2 109.39 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.62 HG21 ' HE3' ' A' ' 138' ' ' LYS . 13.2 p -77.81 -36.66 22.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -160.54 142.47 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.477 HG22 ' H ' ' A' ' 132' ' ' GLY . 7.9 p -149.46 137.58 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -124.8 11.07 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.477 ' H ' HG22 ' A' ' 130' ' ' VAL . . . 168.22 -96.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.753 ' O ' HD23 ' A' ' 133' ' ' LEU . 1.9 tt -108.75 3.95 23.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -116.24 100.46 7.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.815 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -107.15 79.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 135' ' ' LEU . 47.5 tttm -33.48 126.28 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.647 HG11 HG21 ' A' ' 104' ' ' VAL . 35.0 m -106.61 141.59 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.62 ' HE3' HG21 ' A' ' 128' ' ' VAL . 4.2 mtmp? -128.66 141.41 51.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -63.82 118.82 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 18.4 pt . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.642 0.734 . . . . 0.0 111.127 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.558 HG23 ' H ' ' A' ' 86' ' ' GLU . 11.2 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.801 0.334 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 3.2 t80 50.02 46.25 24.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.558 ' H ' HG23 ' A' ' 84' ' ' THR . 52.0 mt-10 -124.97 -22.46 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.636 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -33.8 -38.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 86' ' ' GLU . 8.4 tptm -43.32 106.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.52 -36.04 4.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.67 151.72 41.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.468 HG21 HD11 ' A' ' 140' ' ' ILE . 9.5 p -108.66 138.5 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.11 178.49 17.5 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -114.02 132.5 55.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 123' ' ' ASP . 3.1 m -69.88 93.56 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.99 -37.57 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.602 ' HB3' HD12 ' A' ' 103' ' ' LEU . 19.8 tttm -153.37 151.13 29.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.622 HG23 ' CD2' ' A' ' 102' ' ' TYR . 21.9 mt -123.52 140.08 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -151.37 131.73 13.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -44.26 -50.98 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.66 -37.88 76.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.652 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 38.0 p-80 -169.16 157.39 7.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.622 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -109.42 141.58 41.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.602 HD12 ' HB3' ' A' ' 96' ' ' LYS . 37.0 mt -99.39 106.32 18.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.535 HG21 HG11 ' A' ' 137' ' ' VAL . 1.5 t -114.6 120.29 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.41 117.1 22.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.517 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 46.2 t -126.26 127.33 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 53.03 37.92 25.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.73 29.27 71.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.41 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 2.5 m-20 -144.11 113.8 7.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -59.91 138.38 57.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.558 ' CE3' HD21 ' A' ' 135' ' ' LEU . 91.9 m95 -126.01 170.58 11.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.415 HG23 ' HB2' ' A' ' 101' ' ' HIS . 18.4 mt -115.22 94.74 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -111.18 161.33 16.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.518 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.2 p90 -131.46 121.63 24.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.967 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.7 t -125.74 119.97 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -59.59 -23.48 62.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -86.88 114.74 23.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -50.19 101.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.4 mt -78.28 178.36 7.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.79 136.31 47.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 17.6 mt -48.53 120.35 3.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.585 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 96.59 4.81 59.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.693 ' O ' HG22 ' A' ' 94' ' ' VAL . 48.0 m-20 -79.61 133.43 36.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -78.88 124.26 28.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.527 HG12 ' HA ' ' A' ' 139' ' ' ARG . 21.2 m -133.47 142.2 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 36.3 ttp -109.34 142.2 40.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.613 HG13 ' HB2' ' A' ' 135' ' ' LEU . 40.8 t -67.45 118.07 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.432 ' CG1' ' HB2' ' A' ' 136' ' ' LYS . 14.6 p -89.21 -20.87 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -172.67 149.44 2.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.545 HG12 ' H ' ' A' ' 132' ' ' GLY . 62.6 t -122.74 136.99 57.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.9 23.33 6.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.545 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 106.51 -100.14 1.58 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.1 mt -91.4 29.32 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 110.93 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.421 ' C ' HD23 ' A' ' 135' ' ' LEU . 8.5 pttm -169.21 135.41 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.613 ' HB2' HG13 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -140.32 131.47 26.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.432 ' HB2' ' CG1' ' A' ' 128' ' ' VAL . 23.6 mtpp -69.61 133.0 47.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.535 HG11 HG21 ' A' ' 104' ' ' VAL . 35.2 m -118.57 129.43 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -107.93 132.5 53.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.527 ' HA ' HG12 ' A' ' 125' ' ' VAL . 3.3 tpp85 -60.14 122.15 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.468 HD11 HG21 ' A' ' 91' ' ' VAL . 30.6 pt . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.633 0.73 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.473 HG23 ' H ' ' A' ' 86' ' ' GLU . 9.0 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.843 0.354 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.457 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 56.02 40.43 30.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.473 ' H ' HG23 ' A' ' 84' ' ' THR . 79.7 mm-40 -126.16 -24.96 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.766 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -32.44 -40.36 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -44.4 113.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.15 -35.25 5.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.495 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.3 150.12 43.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.567 HG21 HD11 ' A' ' 140' ' ' ILE . 12.1 p -99.91 138.09 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.98 175.37 16.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -117.3 123.05 45.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.937 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.813 HG22 ' O ' ' A' ' 123' ' ' ASP . 3.3 m -63.92 117.28 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.844 HG23 HD13 ' A' ' 103' ' ' LEU . 27.9 m -101.04 -14.21 8.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.494 ' HA ' HD21 ' A' ' 121' ' ' LEU . 21.4 tptm -163.64 161.98 23.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.553 HG23 ' CZ ' ' A' ' 102' ' ' TYR . 5.3 mp -143.01 138.26 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -150.39 129.5 12.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' ALA . 9.0 tt0 -38.18 -56.72 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -54.66 -42.35 71.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.719 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 27.3 p80 -168.09 145.92 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.553 ' CZ ' HG23 ' A' ' 97' ' ' ILE . 4.6 m-30 -96.46 163.73 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.844 HD13 HG23 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -116.39 111.63 20.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.503 HG21 HG11 ' A' ' 137' ' ' VAL . 0.5 OUTLIER -119.96 123.58 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -84.34 128.93 34.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.563 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 43.1 t -126.67 131.48 71.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 39.05 41.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.59 32.04 62.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.599 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 64.9 m-20 -142.79 111.72 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.57 ' HD3' HD11 ' A' ' 103' ' ' LEU . 26.4 mttm -57.51 142.54 43.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 109' ' ' ASP . 99.6 m95 -140.07 149.8 43.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.541 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.1 mp -99.14 98.52 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -115.69 166.33 12.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.037 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 114' ' ' TYR . 1.5 p90 -139.44 125.22 19.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -126.39 126.6 44.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -53.46 -24.31 12.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.48 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 6.6 pt-20 -95.09 115.54 27.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -56.67 117.74 4.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.9 mt -91.64 -176.57 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.93 138.42 46.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.494 HD21 ' HA ' ' A' ' 96' ' ' LYS . 59.4 mt -44.17 117.36 1.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.57 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 100.11 0.29 56.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.813 ' O ' HG22 ' A' ' 94' ' ' VAL . 34.8 m-20 -75.59 132.32 40.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.77 0.319 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 40.7 mtm-85 -81.38 134.57 35.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 139' ' ' ARG . 28.2 m -142.37 146.31 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 14.0 ttm -106.22 131.42 53.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.665 HG13 ' HB2' ' A' ' 135' ' ' LEU . 59.8 t -60.17 108.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.3 -38.96 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -167.15 150.59 6.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.904 HG22 ' HB3' ' A' ' 135' ' ' LEU . 97.8 t -122.59 135.56 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -121.58 -11.82 8.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 157.56 -100.01 0.19 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.16 17.65 19.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -153.71 106.04 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.904 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -110.91 136.99 49.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -67.53 148.68 51.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.503 HG11 HG21 ' A' ' 104' ' ' VAL . 20.1 m -136.82 133.85 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -124.52 125.26 43.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.59 ' HA ' HG12 ' A' ' 125' ' ' VAL . 14.6 ttt180 -50.81 135.3 24.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.567 HD11 HG21 ' A' ' 91' ' ' VAL . 30.5 pt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.631 0.729 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.494 HG23 ' H ' ' A' ' 86' ' ' GLU . 10.1 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.853 0.359 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.526 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.5 t80 51.73 39.19 24.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.494 ' H ' HG23 ' A' ' 84' ' ' THR . 44.2 mt-10 -123.64 -20.28 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.688 HD11 ' CZ2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -33.93 -39.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.933 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HA ' ' CG1' ' A' ' 127' ' ' VAL . 5.8 ttpm? -48.28 133.68 15.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.32 -31.0 2.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -75.53 158.55 32.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 125' ' ' VAL . 7.7 p -111.17 136.93 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.24 -178.37 15.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -122.87 115.95 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.508 HG23 ' H ' ' A' ' 122' ' ' GLY . 14.6 m -57.45 114.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.7 m -87.69 -29.99 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.472 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 22.3 tttt -162.83 155.53 19.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.552 HG23 ' CD2' ' A' ' 102' ' ' TYR . 5.1 mp -125.26 143.77 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -141.95 152.83 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -63.86 -42.19 97.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -71.99 -31.65 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.632 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 54.1 p-80 -168.02 176.93 5.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.552 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.6 m-85 -120.09 143.49 48.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -101.22 106.88 18.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.7 t -113.1 153.5 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -118.23 115.04 23.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.52 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 63.2 t -120.14 123.33 70.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 48.72 36.88 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.6 37.93 57.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.446 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 27.4 m-20 -145.68 117.56 8.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -63.37 135.95 57.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.688 ' CZ2' HD11 ' A' ' 87' ' ' LEU . 99.4 m95 -131.07 146.43 52.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.499 HD12 ' CD2' ' A' ' 101' ' ' HIS . 41.4 mm -93.22 91.82 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.183 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -109.58 165.73 11.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.465 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.1 p90 -143.08 121.62 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 72.5 m -134.25 144.66 48.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -85.0 -17.9 36.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.23 118.85 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -49.14 97.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.412 HD12 ' HD2' ' A' ' 102' ' ' TYR . 72.5 mt -82.23 172.94 12.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.35 134.5 36.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.472 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 24.8 mt -48.37 118.94 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.508 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 89.46 11.95 63.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.495 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 15.7 t0 -82.62 149.59 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -88.15 130.05 35.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 91' ' ' VAL . 32.7 m -140.66 147.83 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 29.4 ttm -113.0 129.62 56.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 68.9 t -62.7 127.0 22.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 136' ' ' LYS . 5.9 p -91.3 -30.66 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -164.53 155.89 15.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.804 HG22 ' HB3' ' A' ' 135' ' ' LEU . 64.5 t -130.89 111.8 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -95.59 23.15 6.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.567 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 116.6 -97.73 0.77 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.48 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.9 mp -96.54 9.8 40.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -141.19 119.33 12.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.804 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -122.37 128.45 50.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.459 ' O ' HG12 ' A' ' 128' ' ' VAL . 77.6 mttt -74.25 137.34 42.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.7 m -114.24 140.15 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.581 ' O ' HG23 ' A' ' 140' ' ' ILE . 5.5 mtmp? -122.62 118.16 27.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -44.55 130.51 6.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 138' ' ' LYS . 49.6 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.666 0.746 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.813 0.34 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.1 t80 55.11 44.16 28.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 87' ' ' LEU . 75.1 mt-10 -125.88 -26.31 3.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.665 ' H ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -32.79 -41.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.483 ' CE ' ' HA ' ' A' ' 129' ' ' ASP . 5.7 tppt? -43.74 103.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.22 -34.84 5.44 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -63.93 143.53 57.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.1 t -100.92 132.75 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -126.34 -160.19 10.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.533 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -131.32 151.27 51.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.967 HG22 ' O ' ' A' ' 123' ' ' ASP . 15.6 m -87.29 99.64 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.185 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.754 HG21 ' CD ' ' A' ' 110' ' ' LYS . 23.2 m -76.78 -18.71 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 27.1 tptt -173.95 153.04 2.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.961 HG23 ' CD2' ' A' ' 102' ' ' TYR . 17.9 mt -129.38 140.26 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -157.36 130.77 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -44.29 -48.93 9.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -58.25 -35.74 72.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.555 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 40.0 p-80 -174.4 154.49 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.961 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -113.63 142.36 46.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.439 ' HB3' ' CG2' ' A' ' 95' ' ' VAL . 4.4 mm? -102.62 109.26 20.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.463 HG21 HG11 ' A' ' 137' ' ' VAL . 1.4 t -114.84 115.61 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -75.37 104.99 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.498 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 26.3 t -115.15 121.67 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 58.19 31.7 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.53 27.72 56.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.4 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 29.1 m-20 -145.04 115.7 7.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.754 ' CD ' HG21 ' A' ' 95' ' ' VAL . 25.3 mtmm -68.06 119.74 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.554 ' HB3' HD21 ' A' ' 135' ' ' LEU . 85.6 m95 -103.64 171.54 7.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.5 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.4 mp -111.23 92.68 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -117.17 166.41 12.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.573 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 0.2 OUTLIER -133.16 131.81 40.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.4 m -131.35 107.95 9.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -48.57 -26.21 2.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -85.15 114.02 21.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -48.06 115.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.4 mt -90.48 171.68 9.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.606 ' O ' HG21 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -118.02 135.01 54.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 62.6 mt -56.51 126.29 25.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.622 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 92.31 -0.04 71.11 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.967 ' O ' HG22 ' A' ' 94' ' ' VAL . 10.5 t70 -84.67 146.63 27.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.347 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.06 154.5 18.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.48 ' CG2' ' HB ' ' A' ' 137' ' ' VAL . 34.6 m -154.01 157.17 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ttp -113.0 138.29 50.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.669 HG13 ' HB2' ' A' ' 135' ' ' LEU . 69.9 t -73.29 105.33 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.56 HG21 ' HG3' ' A' ' 138' ' ' LYS . 3.2 t -67.21 -41.68 87.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.483 ' HA ' ' CE ' ' A' ' 88' ' ' LYS . 35.5 t0 -159.46 149.22 18.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.9 HG22 ' HB3' ' A' ' 135' ' ' LEU . 99.1 t -120.13 116.5 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -105.12 45.49 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 106.59 -113.3 4.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.436 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.26 1.71 43.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.743 ' C ' HD23 ' A' ' 135' ' ' LEU . 10.2 mmtp -119.46 161.85 19.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.9 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -160.13 107.74 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -58.37 129.2 40.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.48 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 26.9 m -114.96 135.46 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.56 ' HG3' HG21 ' A' ' 128' ' ' VAL . 19.0 mttm -114.41 133.49 55.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.42 ' HA ' HG12 ' A' ' 125' ' ' VAL . 15.9 tpt85 -62.03 122.81 16.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 34.0 pt . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 111.175 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.829 0.347 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.504 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.8 t80 50.67 41.31 25.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.48 ' O ' ' C ' ' A' ' 87' ' ' LEU . 7.2 mm-40 -126.12 -22.98 3.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.688 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -31.42 -44.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -58.62 95.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.02 -31.22 3.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.497 ' HD2' ' CG1' ' A' ' 106' ' ' VAL . 0.5 OUTLIER -90.22 158.89 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.958 HG21 HD11 ' A' ' 140' ' ' ILE . 5.7 p -110.91 139.1 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -126.37 -166.28 12.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -126.09 135.97 52.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.653 HG21 ' HB2' ' A' ' 123' ' ' ASP . 1.3 m -74.79 118.14 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.545 HG21 ' HE3' ' A' ' 110' ' ' LYS . 27.1 m -86.16 -30.54 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.489 ' HA ' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -164.37 153.44 13.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.649 HG23 ' CD2' ' A' ' 102' ' ' TYR . 3.9 mp -124.32 143.93 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -148.61 137.3 21.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -47.72 -51.3 22.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.63 -38.58 81.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.693 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 48.4 p-80 -167.68 163.04 14.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.649 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -109.43 147.24 33.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 103' ' ' LEU . 4.0 mm? -106.05 107.66 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.427 HG21 HG11 ' A' ' 137' ' ' VAL . 1.7 t -112.41 143.63 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -110.18 100.53 9.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.497 ' CG1' ' HD2' ' A' ' 90' ' ' LYS . 21.0 t -107.04 130.76 58.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 46.06 44.73 11.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 63.37 37.76 95.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -144.98 128.94 17.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.545 ' HE3' HG21 ' A' ' 95' ' ' VAL . 23.2 mtpt -73.35 136.9 44.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.585 ' CE3' HD21 ' A' ' 135' ' ' LEU . 99.5 m95 -133.6 158.51 43.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 34.9 mm -106.59 90.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -106.48 160.62 15.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.516 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 1.8 p90 -132.83 121.66 23.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.1 t -128.97 118.29 22.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -53.56 -27.75 27.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -83.91 115.0 22.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 pttm -51.99 120.82 5.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.8 mt -99.55 178.94 4.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.421 ' N ' ' OD2' ' A' ' 123' ' ' ASP . 1.2 m -139.08 133.12 31.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.508 HD12 ' CD1' ' A' ' 97' ' ' ILE . 9.9 mp -39.21 124.03 1.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.456 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 96.84 -5.88 64.21 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.43 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.653 ' HB2' HG21 ' A' ' 94' ' ' VAL . 24.4 m-20 -66.17 143.03 57.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.455 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 14.7 tpp180 -91.55 130.58 37.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.737 ' O ' HG23 ' A' ' 91' ' ' VAL . 23.3 m -143.5 146.77 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 19.3 ttm -113.12 122.68 48.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.547 HG13 ' HB2' ' A' ' 135' ' ' LEU . 9.9 t -49.27 131.55 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 136' ' ' LYS . 7.3 p -113.9 -15.47 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -160.62 156.7 26.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.715 HG22 ' HB3' ' A' ' 135' ' ' LEU . 54.1 t -140.89 108.7 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -94.5 27.39 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.485 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 96.01 -85.74 0.91 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.543 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.7 tp -86.77 -0.68 56.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.95 0.405 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.791 ' C ' HD23 ' A' ' 135' ' ' LEU . 47.0 mtmt -140.54 170.82 15.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.791 HD23 ' C ' ' A' ' 134' ' ' LYS . 0.2 OUTLIER -168.53 126.69 1.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.492 ' HB3' ' CG1' ' A' ' 128' ' ' VAL . 4.2 mmmm -59.06 170.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.427 HG11 HG21 ' A' ' 104' ' ' VAL . 33.5 m -151.58 135.5 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 140' ' ' ILE . 63.1 mttt -112.18 124.64 52.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.596 ' HA ' HG12 ' A' ' 125' ' ' VAL . 3.8 tpp85 -57.54 120.11 7.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.958 HD11 HG21 ' A' ' 91' ' ' VAL . 37.4 pt . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 111.112 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.425 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 66.49 43.27 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 87' ' ' LEU . 16.7 pt-20 -124.9 -29.58 3.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.687 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -31.26 -44.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.58 110.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.24 -36.09 4.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -65.14 159.15 24.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.3 t -104.79 134.02 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.91 160.45 17.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -109.28 125.97 52.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 123' ' ' ASP . 3.2 m -66.69 120.55 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.5 m -98.63 -20.38 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.169 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 97' ' ' ILE . 11.8 tmtt? -174.06 147.94 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.543 HG23 ' CD2' ' A' ' 102' ' ' TYR . 3.8 mp -117.22 147.25 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -153.16 131.04 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -43.02 -52.79 5.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -56.74 -38.17 72.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.713 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 18.3 p80 -173.47 159.36 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.543 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.3 m-85 -102.4 148.98 24.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 103' ' ' LEU . 3.6 mm? -106.29 105.58 15.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 111' ' ' TRP . 1.1 t -112.9 129.96 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -94.41 104.55 16.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.489 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 21.3 t -106.16 130.42 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 47.48 36.42 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.8 30.17 60.05 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.548 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -145.65 118.04 8.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -58.73 149.28 26.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.609 ' CZ2' HD11 ' A' ' 87' ' ' LEU . 82.0 m95 -137.07 178.09 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 50.3 mm -121.75 99.32 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.762 ' HB2' HD22 ' A' ' 135' ' ' LEU . . . -124.8 160.83 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.5 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 5.6 p90 -133.18 122.03 23.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.0 t -130.52 142.1 50.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.97 -18.71 42.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.82 119.14 19.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -49.47 100.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 102' ' ' TYR . 42.3 mt -87.09 164.62 16.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 m -139.74 133.28 30.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.1 mp -42.81 112.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.597 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 109.14 0.73 31.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.714 ' O ' HG22 ' A' ' 94' ' ' VAL . 3.1 t70 -80.33 143.19 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.835 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -91.3 124.97 35.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.68 149.37 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.415 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 32.4 ttm -111.73 150.48 30.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.661 HG13 ' HB2' ' A' ' 135' ' ' LEU . 59.3 t -78.21 100.68 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.71 HG21 ' HG3' ' A' ' 138' ' ' LYS . 2.1 t -64.38 -39.11 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -165.08 154.95 13.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.6 p -157.69 127.25 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -103.66 -27.5 12.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.91 -93.38 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.0 tp -108.28 28.16 8.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -140.66 105.12 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.893 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -109.26 85.47 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.498 ' O ' HG23 ' A' ' 128' ' ' VAL . 4.4 mtpt -38.67 112.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 135' ' ' LEU . 16.4 m -107.68 129.47 61.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.71 ' HG3' HG21 ' A' ' 128' ' ' VAL . 19.8 mtmm -127.54 151.37 48.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -56.43 132.38 51.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.2 pt . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.624 0.726 . . . . 0.0 111.133 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.789 0.328 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.4 t80 57.16 41.67 26.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 87' ' ' LEU . 5.7 mm-40 -120.18 -22.93 6.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.651 ' H ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -36.75 -37.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 129.51 42.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.82 -29.47 6.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -71.59 168.05 18.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.445 ' CG1' ' HG2' ' A' ' 124' ' ' ARG . 56.0 t -119.22 124.57 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -118.01 -170.17 14.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.451 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -134.93 128.75 33.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.69 HG21 ' O ' ' A' ' 120' ' ' SER . 4.4 m -58.3 128.85 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.507 HG23 HD23 ' A' ' 103' ' ' LEU . 27.7 m -111.82 -11.28 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 103' ' ' LEU . 10.3 ttpp -173.67 150.67 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.586 HG23 ' CD2' ' A' ' 102' ' ' TYR . 5.2 mp -130.26 140.59 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -153.88 130.84 10.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -43.44 -50.88 6.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.64 -38.13 80.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.713 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 48.6 p-80 -168.55 157.8 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.586 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -108.42 146.62 32.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.57 HD21 ' HD3' ' A' ' 110' ' ' LYS . 8.8 tp -103.11 103.46 13.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.709 HG11 HG11 ' A' ' 137' ' ' VAL . 2.3 t -110.17 125.32 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -91.35 105.42 17.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.543 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 70.7 t -106.47 126.49 62.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 50.66 39.62 22.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.95 34.24 65.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -145.7 121.72 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.872 0.368 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.57 ' HD3' HD21 ' A' ' 103' ' ' LEU . 54.7 mttt -63.76 143.03 58.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.631 ' CB ' HD11 ' A' ' 135' ' ' LEU . 96.9 m95 -136.19 166.11 24.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.444 HD13 HD12 ' A' ' 133' ' ' LEU . 4.3 mp -111.18 89.85 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -114.88 166.58 11.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.584 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.0 p90 -138.67 130.59 28.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.9 t -121.41 131.1 53.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -27.93 69.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 118' ' ' LYS . 13.7 pt-20 -100.05 110.91 23.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' GLU . 0.3 OUTLIER -35.98 133.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.9 mt -105.99 168.9 8.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.69 ' O ' HG21 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -123.55 143.99 49.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.813 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 96' ' ' LYS . 50.3 mt -60.99 125.45 23.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.611 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 97.22 3.91 58.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.686 ' O ' HG22 ' A' ' 94' ' ' VAL . 42.1 m-20 -87.19 131.63 34.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.788 0.328 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.445 ' HG2' ' CG1' ' A' ' 91' ' ' VAL . 18.2 ttt180 -80.51 130.86 35.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 139' ' ' ARG . 22.5 m -133.89 152.8 35.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 28.7 ttm -118.76 126.45 51.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.493 HG13 ' HB2' ' A' ' 135' ' ' LEU . 46.2 t -54.98 124.56 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.471 HG21 ' HE2' ' A' ' 138' ' ' LYS . 14.3 p -93.23 -33.33 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -156.86 145.51 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 1.0 HG22 ' HB3' ' A' ' 135' ' ' LEU . 74.2 t -128.36 137.02 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -119.57 -7.86 10.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 146.34 -100.82 0.23 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.505 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.505 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.2 OUTLIER -79.0 -1.2 34.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.941 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.433 ' HD2' ' C ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -131.24 163.21 28.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 1.0 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.3 OUTLIER -165.71 107.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.413 ' HB3' ' CG1' ' A' ' 128' ' ' VAL . 25.9 ttmt -54.39 141.26 31.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.709 HG11 HG11 ' A' ' 104' ' ' VAL . 28.2 m -120.78 141.23 42.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.471 ' HE2' HG21 ' A' ' 128' ' ' VAL . 45.8 mttm -117.15 125.59 51.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.42 ' HA ' HG12 ' A' ' 125' ' ' VAL . 3.1 tpp85 -58.76 122.06 12.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 30.5 pt . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.638 0.733 . . . . 0.0 111.084 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.842 0.353 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.472 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 42.47 44.87 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -125.73 -12.66 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.666 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -43.3 -37.15 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -45.97 113.79 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.48 -34.99 5.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -74.96 155.67 37.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 125' ' ' VAL . 8.9 p -115.81 137.65 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -120.13 -166.04 13.08 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.51 125.03 39.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.75 HG22 ' O ' ' A' ' 123' ' ' ASP . 3.5 m -63.03 100.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.4 m -79.44 -26.76 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.589 ' HA ' HD21 ' A' ' 121' ' ' LEU . 27.0 tttp -167.52 154.34 8.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.566 HG23 ' CD2' ' A' ' 102' ' ' TYR . 4.3 mp -125.03 137.49 57.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -144.79 131.15 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.089 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -43.73 -52.54 6.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.85 -39.03 76.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.772 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 48.5 p-80 -169.42 152.79 4.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.5 m-85 -99.81 145.74 27.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 103' ' ' LEU . 3.4 mm? -102.81 103.49 13.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.526 HG11 HG11 ' A' ' 137' ' ' VAL . 1.4 t -111.75 127.53 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -90.12 106.1 18.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.544 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 48.0 t -107.65 114.64 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 62.11 31.78 17.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 76.89 33.01 47.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.442 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 37.2 m-20 -145.75 116.12 7.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -58.51 140.71 53.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.605 ' CZ2' HD11 ' A' ' 87' ' ' LEU . 91.6 m95 -130.47 179.25 6.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.57 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.0 mp -122.12 98.31 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -130.56 167.98 17.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.06 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.574 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.4 p90 -131.04 141.48 50.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.1 p -121.16 136.9 54.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -73.0 -20.62 60.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -116.68 111.36 19.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -39.21 101.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.0 mt -68.7 -178.52 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.01 135.04 47.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.589 HD21 ' HA ' ' A' ' 96' ' ' LYS . 13.7 mt -48.3 121.81 4.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.609 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 95.65 4.79 60.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.51 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.75 ' O ' HG22 ' A' ' 94' ' ' VAL . 37.8 m-20 -87.67 129.59 35.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -76.32 138.83 40.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.868 ' O ' HG23 ' A' ' 91' ' ' VAL . 33.7 m -144.4 147.54 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.6 ttp -112.39 144.52 41.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.7 t -66.53 95.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 138' ' ' LYS . 1.9 t -59.14 -37.47 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -170.42 168.73 7.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.576 HG21 HD12 ' A' ' 135' ' ' LEU . 1.4 p -167.25 119.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -88.9 -23.01 22.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.12 -98.71 0.15 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -101.52 -0.94 34.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 0.0 110.924 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.905 ' C ' HD13 ' A' ' 135' ' ' LEU . 15.6 mmtm -100.21 118.97 37.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.905 HD13 ' C ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -112.62 93.13 4.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.905 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.461 ' O ' HG23 ' A' ' 128' ' ' VAL . 15.1 mtpt -53.45 119.19 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.526 HG11 HG11 ' A' ' 104' ' ' VAL . 20.1 m -104.34 135.62 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.465 ' HB2' HG22 ' A' ' 128' ' ' VAL . 20.3 mtpt -133.16 138.52 46.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -50.68 128.49 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.786 HD11 HG21 ' A' ' 91' ' ' VAL . 5.5 pt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.656 0.741 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 86' ' ' GLU . 9.8 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.827 0.346 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.5 t80 58.58 42.45 20.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 87' ' ' LEU . 6.2 mm-40 -124.91 -24.64 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.643 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -34.49 -41.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HA ' ' CG1' ' A' ' 127' ' ' VAL . 7.7 ttpm? -45.75 134.93 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.82 -42.95 3.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -65.44 171.11 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.446 HG11 ' NH1' ' A' ' 124' ' ' ARG . 48.4 t -117.67 136.66 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.65 178.16 16.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.78 132.15 54.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.603 HG23 ' H ' ' A' ' 122' ' ' GLY . 15.3 m -71.88 95.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.4 HG23 ' HB3' ' A' ' 103' ' ' LEU . 13.4 m -72.08 -26.77 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.583 ' HA ' HD11 ' A' ' 121' ' ' LEU . 12.9 ttpp -163.67 162.03 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.851 HG23 ' CD2' ' A' ' 102' ' ' TYR . 49.5 mt -137.35 133.41 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -141.65 138.91 32.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.444 ' C ' ' OE1' ' A' ' 99' ' ' GLU . 1.8 tm-20 -49.33 -50.86 37.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -59.9 -38.19 81.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.666 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 55.7 p-80 -167.13 163.01 15.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.851 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -113.68 145.92 40.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.4 ' HB3' HG23 ' A' ' 95' ' ' VAL . 3.9 mm? -102.92 106.81 17.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.458 HG11 HG11 ' A' ' 137' ' ' VAL . 2.2 t -114.83 121.52 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -87.84 109.94 20.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.523 HG11 ' HB3' ' A' ' 87' ' ' LEU . 61.3 t -115.16 136.18 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 44.65 36.65 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.2 34.19 64.52 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -145.71 123.05 11.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.88 0.372 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -62.46 140.99 58.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.512 ' CE2' ' HG ' ' A' ' 87' ' ' LEU . 91.5 m95 -134.98 155.41 50.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.06 93.18 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.426 ' HB2' HD12 ' A' ' 135' ' ' LEU . . . -110.48 168.38 9.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.467 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.5 p90 -131.8 131.05 42.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.429 ' OG ' ' CE2' ' A' ' 102' ' ' TYR . 16.9 p -121.72 137.06 54.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.75 -15.05 58.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -116.58 111.11 19.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -40.45 105.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 97' ' ' ILE . 70.9 mt -74.71 -176.8 2.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.503 ' O ' HG21 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -127.57 139.91 52.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.583 HD11 ' HA ' ' A' ' 96' ' ' LYS . 4.0 mm? -56.19 119.25 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.603 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 97.62 5.88 57.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.593 ' O ' HG22 ' A' ' 94' ' ' VAL . 10.4 t0 -79.91 140.93 36.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.357 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.446 ' NH1' HG11 ' A' ' 91' ' ' VAL . 5.5 ttp85 -89.97 131.1 36.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.463 ' CG2' ' HB ' ' A' ' 137' ' ' VAL . 24.2 m -139.87 150.37 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 45.2 ttm -112.65 137.17 51.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 40.1 t -61.27 120.25 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' A' ' 136' ' ' LYS . 7.9 p -87.9 -35.39 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 128' ' ' VAL . 4.5 m-20 -175.3 146.08 0.8 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.536 HG12 ' HB3' ' A' ' 135' ' ' LEU . 0.8 OUTLIER -118.05 131.56 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.07 28.09 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 116.32 -80.88 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.3 tp -119.87 17.08 12.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -154.33 105.01 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.536 ' HB3' HG12 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -103.94 166.66 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.488 ' HB2' ' CG1' ' A' ' 128' ' ' VAL . 6.4 mtpm? -104.25 140.73 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 27.6 m -114.59 138.98 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -119.73 130.56 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -58.05 123.27 15.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 19.8 pt . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 111.141 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.812 0.339 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.535 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.2 t80 54.25 43.37 30.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -122.71 -18.5 6.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.641 HD13 ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -38.57 -35.49 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -46.79 129.89 11.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.7 -36.71 2.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -66.42 156.88 33.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.611 HG21 HD11 ' A' ' 140' ' ' ILE . 8.0 p -113.76 138.73 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -126.88 -167.3 12.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.79 127.23 41.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.772 0.32 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.76 HG22 ' O ' ' A' ' 123' ' ' ASP . 3.4 m -66.13 124.5 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.864 HG21 ' CD ' ' A' ' 110' ' ' LYS . 26.3 m -96.48 -30.59 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.595 ' HA ' HD11 ' A' ' 121' ' ' LEU . 33.1 tttp -163.11 158.24 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.935 HG23 ' CD2' ' A' ' 102' ' ' TYR . 20.6 mt -127.76 138.77 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -150.01 130.34 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -42.05 -52.33 4.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -56.04 -38.83 71.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.599 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 38.0 p-80 -171.65 159.06 5.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.935 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -110.27 149.51 30.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.5 mt -107.66 110.87 22.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.523 HG21 HG11 ' A' ' 137' ' ' VAL . 1.2 t -117.5 128.98 74.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -88.25 111.98 22.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.48 HG11 ' HB3' ' A' ' 87' ' ' LEU . 65.7 t -116.46 115.0 47.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 63.58 26.46 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 85.92 27.35 31.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.469 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 27.8 m-20 -145.72 117.93 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.837 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.864 ' CD ' HG21 ' A' ' 95' ' ' VAL . 18.6 mtmt -64.36 141.91 58.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.469 ' CD1' ' O ' ' A' ' 109' ' ' ASP . 89.5 m95 -127.52 178.6 5.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 112' ' ' ILE . 3.1 mp -113.98 96.63 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -116.14 158.03 23.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.525 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.3 p90 -130.19 121.6 26.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.1 t -130.77 126.14 35.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -62.64 -25.43 68.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -83.24 116.3 22.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.73 101.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.4 ' C ' ' CD1' ' A' ' 97' ' ' ILE . 22.4 mt -76.29 -176.65 3.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.15 133.88 26.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.595 HD11 ' HA ' ' A' ' 96' ' ' LYS . 9.3 mp -47.37 119.97 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.604 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 102.33 1.86 50.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.487 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.76 ' O ' HG22 ' A' ' 94' ' ' VAL . 69.7 m-20 -84.23 126.31 33.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.752 0.311 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -75.39 124.09 26.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 139' ' ' ARG . 18.8 m -131.87 143.49 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 4.3 ttm -102.81 138.58 39.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.685 HG13 ' HB2' ' A' ' 135' ' ' LEU . 39.1 t -65.52 115.77 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.6 t -76.07 -43.63 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -163.15 162.53 25.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.885 HG22 ' HB3' ' A' ' 135' ' ' LEU . 79.6 t -125.77 120.04 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.12 28.17 7.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.538 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 122.71 -112.82 2.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.51 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.1 OUTLIER -82.5 -1.9 51.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.03 178.62 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.885 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -173.63 127.89 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -63.93 160.92 16.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.523 HG11 HG21 ' A' ' 104' ' ' VAL . 30.1 m -144.65 138.78 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 140' ' ' ILE . 15.3 pttp -125.71 124.99 42.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.407 ' HA ' HG12 ' A' ' 125' ' ' VAL . 12.9 ttt180 -52.61 133.34 36.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.611 HD11 HG21 ' A' ' 91' ' ' VAL . 31.2 pt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.53 HG23 ' HG2' ' A' ' 86' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.809 0.337 . . . . 0.0 111.124 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.549 ' CE1' ' O ' ' A' ' 130' ' ' VAL . 1.0 OUTLIER 42.56 47.11 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.53 ' HG2' HG23 ' A' ' 84' ' ' THR . 22.7 pt-20 -121.88 -28.91 4.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.696 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -32.36 -35.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.985 ' HB2' HG12 ' A' ' 130' ' ' VAL . 9.7 tttp -62.65 131.5 49.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.14 -26.84 17.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -86.61 170.43 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.478 HG22 ' HB2' ' A' ' 126' ' ' MET . 60.7 t -118.32 128.93 75.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -116.66 -172.2 16.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.88 126.87 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.886 0.374 . . . . 0.0 110.835 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.987 HG22 ' O ' ' A' ' 123' ' ' ASP . 6.6 m -68.51 116.55 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.441 ' CG2' ' HB3' ' A' ' 103' ' ' LEU . 18.9 m -92.57 -30.66 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.438 ' C ' HG13 ' A' ' 97' ' ' ILE . 14.0 mtpp -154.07 173.61 15.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.638 HG23 ' CD2' ' A' ' 102' ' ' TYR . 46.0 mt -145.81 132.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -143.34 133.31 24.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -46.14 -50.91 14.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.11 -36.45 79.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.805 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 49.3 p-80 -168.53 152.65 5.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.638 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -104.12 150.89 23.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.441 ' HB3' ' CG2' ' A' ' 95' ' ' VAL . 4.3 mm? -104.22 108.55 19.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.753 HG21 HG11 ' A' ' 137' ' ' VAL . 1.2 t -118.56 127.76 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -90.35 115.45 27.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.528 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 46.7 t -121.16 127.91 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 55.77 29.62 14.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.61 27.65 56.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.402 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 0.8 OUTLIER -145.67 119.93 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -59.61 144.84 46.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.604 ' HB3' HD21 ' A' ' 135' ' ' LEU . 86.8 m95 -133.15 176.45 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.424 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.9 mp -116.44 101.86 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.745 ' HB2' ' CD2' ' A' ' 135' ' ' LEU . . . -128.18 163.17 25.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.581 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 3.9 p90 -133.77 132.93 41.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.3 t -123.25 136.98 54.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -67.42 -23.65 65.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 9.3 pt-20 -104.03 113.96 27.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -47.98 107.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.404 ' O ' HD13 ' A' ' 97' ' ' ILE . 10.1 mt -78.45 -176.12 4.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.31 133.9 41.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.405 HD12 HD12 ' A' ' 97' ' ' ILE . 9.4 mp -51.02 126.01 15.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.558 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 100.67 -1.78 55.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.987 ' O ' HG22 ' A' ' 94' ' ' VAL . 2.4 t70 -88.55 139.24 30.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.0 ptt-85 -84.25 140.03 31.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 30.9 m -144.32 151.15 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.478 ' HB2' HG22 ' A' ' 91' ' ' VAL . 34.1 ttm -111.94 134.89 53.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.477 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 86.1 t -64.72 102.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.428 HG21 ' HG3' ' A' ' 138' ' ' LYS . 1.5 t -60.91 -36.55 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -171.25 154.6 4.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.985 HG12 ' HB2' ' A' ' 88' ' ' LYS . 7.7 p -156.53 127.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -109.56 -15.25 14.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -167.16 -93.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.7 mt -111.0 18.27 19.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -128.72 95.61 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.789 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -103.56 80.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 135' ' ' LEU . 17.7 mttm -37.11 126.34 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.753 HG11 HG21 ' A' ' 104' ' ' VAL . 33.3 m -113.99 129.29 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.428 ' HG3' HG21 ' A' ' 128' ' ' VAL . 39.3 mttp -122.15 138.81 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 -59.51 132.03 52.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 30.0 pt . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.593 0.711 . . . . 0.0 111.161 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 86' ' ' GLU . 8.9 t . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.853 0.358 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.403 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.0 OUTLIER 64.29 43.31 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 87' ' ' LEU . 20.0 mm-40 -127.72 -29.6 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.665 ' H ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -30.66 -40.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.931 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -47.46 97.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.54 -30.77 8.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.504 ' HE2' ' N ' ' A' ' 87' ' ' LEU . 46.7 mtmt -67.25 161.13 25.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.7 t -109.3 130.48 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.14 -160.59 12.82 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.27 148.88 50.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.762 HG11 ' O ' ' A' ' 120' ' ' SER . 2.2 t -88.43 112.47 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.502 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 17.4 m -98.24 -38.65 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.486 ' HD2' ' N ' ' A' ' 97' ' ' ILE . 1.6 tmmm? -154.81 154.31 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.614 HD11 ' CG1' ' A' ' 94' ' ' VAL . 4.2 mp -130.07 141.81 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -153.63 133.26 12.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -48.03 -45.87 32.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -63.47 -34.82 78.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.72 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 53.4 p-80 -173.17 151.96 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.559 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.1 m-85 -105.91 143.71 33.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.612 HD12 ' HD2' ' A' ' 110' ' ' LYS . 2.8 mm? -101.88 103.32 13.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.5 t -110.66 119.8 60.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.132 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -85.11 102.21 13.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.538 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 41.4 t -103.87 116.83 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 57.98 37.03 26.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.54 31.49 56.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 16.4 m-20 -145.79 112.58 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.391 . . . . 0.0 110.83 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.612 ' HD2' HD12 ' A' ' 103' ' ' LEU . 17.7 mtmt -60.46 137.77 58.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.538 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 93.1 m95 -124.95 171.37 10.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.3 mp -113.43 88.15 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -108.95 156.78 19.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.507 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 1.5 p90 -127.1 121.44 31.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 116' ' ' ASP . 33.2 m -135.92 107.65 7.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.803 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 115' ' ' SER . 1.1 m-20 -37.17 -33.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 115' ' ' SER . 45.4 mt-10 -77.72 114.72 16.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 99.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.3 173.09 6.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.762 ' O ' HG11 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -122.67 162.65 21.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 95' ' ' VAL . 3.6 mm? -62.04 125.5 24.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 89.59 3.31 74.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.508 ' O ' ' CG2' ' A' ' 94' ' ' VAL . 1.4 m-20 -86.46 100.01 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.402 ' C ' HG13 ' A' ' 125' ' ' VAL . 4.7 ptt-85 -60.14 159.9 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.425 HG21 HG21 ' A' ' 137' ' ' VAL . 33.4 m -157.31 145.55 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 35.7 ttp -107.24 128.84 54.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.581 HG13 ' HB2' ' A' ' 135' ' ' LEU . 46.4 t -59.41 124.38 13.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 136' ' ' LYS . 14.8 p -96.92 -32.46 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -148.88 143.18 26.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.847 HG22 ' HB3' ' A' ' 135' ' ' LEU . 70.8 t -128.4 122.51 57.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -115.81 23.61 12.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 113.15 -111.34 2.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 13.0 mt -82.38 19.26 1.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.853 0.358 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -153.65 115.73 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.847 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.3 OUTLIER -122.93 125.7 45.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 137' ' ' VAL . 9.3 tmtt? -72.33 137.28 46.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.474 ' N ' ' HD3' ' A' ' 136' ' ' LYS . 12.5 m -121.75 149.39 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -132.69 131.12 40.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.97 133.65 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.8 pt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.6 0.714 . . . . 0.0 111.132 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.841 0.353 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.492 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.1 t80 45.37 42.95 8.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -121.61 -25.13 5.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.689 HD13 ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -39.9 -34.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.95 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -41.75 106.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.98 -36.57 3.89 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' LEU . 72.2 mttt -57.77 156.59 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 75.3 t -105.29 134.99 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.7 176.35 17.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -119.75 138.47 53.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.613 HG23 ' H ' ' A' ' 122' ' ' GLY . 3.5 m -77.23 84.81 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.926 HG21 ' HE3' ' A' ' 110' ' ' LYS . 16.5 m -64.16 -18.61 23.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -173.13 152.29 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.56 HG23 ' CD2' ' A' ' 102' ' ' TYR . 5.1 mp -124.7 140.16 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -149.79 132.46 15.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -45.85 -50.17 14.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -36.49 76.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.704 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 42.9 p-80 -170.33 158.7 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.569 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.3 m-85 -107.69 151.38 25.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.443 ' HB3' HG23 ' A' ' 95' ' ' VAL . 14.6 mt -109.17 110.68 21.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.679 HG21 HG11 ' A' ' 137' ' ' VAL . 1.2 t -122.78 117.68 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.451 ' OE2' ' C ' ' A' ' 108' ' ' GLY . 8.1 tp10 -79.95 102.12 9.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.576 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 16.7 t -108.4 136.84 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 106' ' ' VAL . 7.3 pt-20 50.65 28.24 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.451 ' C ' ' OE2' ' A' ' 105' ' ' GLU . . . 79.64 29.76 46.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.431 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -146.21 128.76 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.926 ' HE3' HG21 ' A' ' 95' ' ' VAL . 34.7 mtpt -68.86 120.59 15.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.806 ' CE3' HD21 ' A' ' 135' ' ' LEU . 90.2 m95 -110.75 174.29 5.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.555 HD12 ' N ' ' A' ' 112' ' ' ILE . 3.1 mp -115.13 95.98 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.484 ' HB1' HG13 ' A' ' 137' ' ' VAL . . . -111.36 162.96 14.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.569 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.8 p90 -137.04 122.1 19.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.9 t -123.23 127.13 48.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -23.86 67.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.82 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -92.62 114.16 26.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.61 122.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.1 mt -97.31 160.22 14.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.965 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 123' ' ' ASP . 0.8 OUTLIER -119.77 134.12 55.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 7.5 mt -48.55 127.22 12.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.613 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 93.14 2.84 65.89 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.607 ' O ' HG22 ' A' ' 94' ' ' VAL . 20.2 m-20 -82.6 122.71 28.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -76.14 120.25 21.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 25.0 m -125.76 150.72 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 34.7 ttp -111.52 143.04 43.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.605 HG13 ' HB2' ' A' ' 135' ' ' LEU . 45.6 t -66.5 108.89 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.7 t -72.74 -39.42 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -175.84 141.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.585 HG12 ' HB3' ' A' ' 135' ' ' LEU . 0.9 OUTLIER -118.98 133.28 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -100.92 3.44 41.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 149.63 -76.12 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.7 mt -117.06 -3.07 11.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -120.26 97.58 5.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.806 HD21 ' CE3' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -92.46 118.78 31.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.894 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.0 169.73 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.679 HG11 HG21 ' A' ' 104' ' ' VAL . 33.3 m -150.75 132.79 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.14 128.91 52.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -61.4 116.03 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 45.5 pt . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 111.13 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 74' ' ' GLU . 10.1 mmp_? -91.28 -38.72 12.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 73' ' ' ARG . 2.1 tt0 -33.55 134.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.01 119.83 39.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.95 51.41 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.442 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 3.5 t0 -124.88 108.18 11.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.579 ' H ' HD12 ' A' ' 78' ' ' ILE . 5.1 mp -73.61 -42.21 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.72 -148.52 18.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.11 -70.26 0.52 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -79.78 140.18 22.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.32 17.63 4.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.768 0.318 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.499 ' CE1' HD21 ' A' ' 133' ' ' LEU . 4.2 m-30 -94.37 94.22 8.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.604 HG23 ' HG2' ' A' ' 86' ' ' GLU . 1.8 t -97.31 -8.99 28.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 40.73 49.34 2.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.604 ' HG2' HG23 ' A' ' 84' ' ' THR . 23.4 pt-20 -125.27 -24.39 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.669 HD13 ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -39.27 -34.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.886 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.18 112.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.53 -30.55 10.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -72.56 160.98 31.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.7 t -105.67 129.9 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.17 165.33 14.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.9 140.87 43.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.347 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 123' ' ' ASP . 4.7 m -83.17 102.74 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.44 HG21 ' CG ' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -83.18 -20.68 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -166.09 149.5 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.918 HG23 ' CD2' ' A' ' 102' ' ' TYR . 5.3 mp -128.17 145.31 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -156.55 130.27 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.86 -53.72 3.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -55.41 -35.55 65.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.639 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 56.1 p-80 -174.78 152.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.918 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.1 m-85 -103.71 151.67 22.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.953 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' A' ' 110' ' ' LYS . 3.3 mm? -109.5 103.21 12.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.569 HG21 HG11 ' A' ' 137' ' ' VAL . 1.5 t -109.02 109.37 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -73.18 99.98 2.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.564 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 39.3 t -108.76 136.1 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 106' ' ' VAL . 3.8 pt-20 51.36 25.0 2.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.73 29.07 33.24 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -146.15 125.87 13.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.516 ' HB3' HD12 ' A' ' 103' ' ' LEU . 10.5 mtmm -71.57 116.15 11.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.564 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 91.4 m95 -100.43 179.03 4.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.55 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.1 mp -117.5 91.23 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -116.79 166.06 12.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.567 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -136.04 130.07 32.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t -119.93 132.4 55.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.18 -20.41 64.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.34 111.21 23.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -39.46 125.62 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.88 172.55 7.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.449 ' CB ' ' OD2' ' A' ' 123' ' ' ASP . 0.7 OUTLIER -123.89 137.78 54.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.5 mt -47.62 120.05 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.61 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 93.02 5.76 63.84 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.666 ' O ' HG22 ' A' ' 94' ' ' VAL . 63.5 m-20 -77.47 131.74 38.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.8 mtm-85 -79.4 132.18 36.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.475 ' CG2' ' HB ' ' A' ' 137' ' ' VAL . 9.3 m -141.0 143.47 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 36.6 ttp -109.05 133.69 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.506 HG13 ' HB2' ' A' ' 135' ' ' LEU . 86.4 t -67.75 114.85 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 136' ' ' LYS . 6.7 p -77.62 -35.95 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -163.25 156.26 18.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.609 HG22 ' HB3' ' A' ' 135' ' ' LEU . 18.9 t -125.83 122.83 62.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.22 44.51 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.05 -91.47 0.9 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.466 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.499 HD21 ' CE1' ' A' ' 83' ' ' TYR . 22.2 mt -103.15 3.55 35.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -124.67 141.56 52.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.609 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -136.8 108.54 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.53 ' O ' HG12 ' A' ' 128' ' ' VAL . 0.2 OUTLIER -59.73 126.13 26.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.569 HG11 HG21 ' A' ' 104' ' ' VAL . 35.3 m -109.01 143.7 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 140' ' ' ILE . 39.1 mtmt -131.24 117.63 19.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -46.9 135.11 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 138' ' ' LYS . 36.0 pt -127.01 142.93 45.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 147.62 63.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.27 . . . . 0.0 112.341 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 162.94 40.21 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 2.238 . . . . 0.0 112.362 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 144' ' ' LEU . 14.2 tt0 -60.48 -58.23 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.6 HD12 ' H ' ' A' ' 144' ' ' LEU . 2.6 mp -34.45 -36.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 143' ' ' GLN . 5.9 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.438 ' N ' ' NE ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.0 ttm105 -84.63 5.73 26.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -93.72 29.75 1.97 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.6 p -61.7 85.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 85.0 m -100.75 -60.38 1.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -79.4 112.94 17.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 61.4 mt -86.23 -49.69 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.82 60.27 0.81 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.494 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -97.07 45.39 1.8 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.85 143.63 0.55 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.513 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -90.28 -26.88 19.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.576 ' CD1' ' N ' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -72.15 96.44 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.5 t -112.38 -18.43 12.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 3.0 t80 61.51 41.4 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 87' ' ' LEU . 57.4 mm-40 -124.45 -22.7 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.641 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -34.95 -36.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 86' ' ' GLU . 18.5 tttt -48.59 115.44 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.47 -32.19 6.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.508 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -66.93 155.66 37.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 125' ' ' VAL . 21.3 t -107.1 140.23 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.84 175.72 19.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -116.31 121.32 41.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 123' ' ' ASP . 4.5 m -63.51 106.76 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.707 HG21 ' CD ' ' A' ' 110' ' ' LYS . 19.6 m -81.82 -19.55 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.657 ' HA ' HD11 ' A' ' 121' ' ' LEU . 20.8 ttpt -173.02 163.19 4.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.701 HG23 ' CD2' ' A' ' 102' ' ' TYR . 21.2 mt -133.19 142.99 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -151.79 134.6 15.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -47.54 -50.3 24.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -60.14 -33.47 72.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.713 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 35.8 p-80 -174.18 159.29 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.701 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.3 m-85 -109.65 154.13 23.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -110.65 110.19 20.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.569 HG21 HG11 ' A' ' 137' ' ' VAL . 1.2 t -117.57 122.32 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -83.76 113.25 20.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.495 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 58.9 t -120.44 116.32 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 62.85 27.5 16.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.29 27.27 40.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 7.9 m-20 -145.58 114.53 6.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.707 ' CD ' HG21 ' A' ' 95' ' ' VAL . 14.8 mtmm -63.75 136.76 57.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.612 ' HB3' HD21 ' A' ' 135' ' ' LEU . 81.8 m95 -117.87 177.08 4.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.4 mp -116.53 93.06 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -121.34 164.85 16.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.576 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.0 p90 -135.2 126.98 29.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.1 t -123.13 128.58 50.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.05 -27.34 65.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -88.64 115.56 26.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -52.68 97.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 42.8 mt -66.96 -177.74 0.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.3 134.91 31.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.657 HD11 ' HA ' ' A' ' 96' ' ' LYS . 4.6 mm? -44.81 121.29 2.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.603 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 93.57 4.81 63.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.537 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.626 ' O ' HG22 ' A' ' 94' ' ' VAL . 41.7 m-20 -82.7 122.54 28.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -72.45 127.01 31.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.636 ' O ' HG13 ' A' ' 91' ' ' VAL . 34.7 m -131.37 164.58 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 51.0 ttm -130.31 142.84 50.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.583 HG13 ' HB2' ' A' ' 135' ' ' LEU . 38.3 t -75.81 103.57 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 136' ' ' LYS . 3.2 p -78.78 -16.29 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -175.28 152.68 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.2 p -164.2 134.31 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -128.74 50.5 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 133.93 -98.16 0.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 29.0 mt -115.48 -1.29 12.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -108.63 99.8 9.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.651 HD23 ' N ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -105.9 105.86 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.568 ' O ' HG12 ' A' ' 128' ' ' VAL . 32.5 mttt -57.97 114.93 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.569 HG11 HG21 ' A' ' 104' ' ' VAL . 27.5 m -102.73 150.16 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -139.24 134.24 32.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -57.97 122.76 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.0 pt -119.33 138.98 27.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 166.29 28.1 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.641 2.227 . . . . 0.0 112.368 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 163.71 37.21 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.368 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -90.6 39.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 145' ' ' GLU . 3.6 pp -52.71 -39.24 61.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.425 ' N ' HD12 ' A' ' 144' ' ' LEU . 10.4 pt-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.812 0.339 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -38.62 -52.55 1.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -147.0 144.21 29.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 m -65.41 118.22 9.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.15 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 76.2 p -100.04 84.57 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -154.18 129.23 9.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 39.2 mt -59.32 -43.61 90.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.065 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.8 -108.64 2.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.86 -55.84 0.27 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 160.97 119.41 0.51 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -55.31 -21.54 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.589 ' CD1' ' N ' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -97.97 96.35 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 85' ' ' PHE . 10.0 t -108.71 0.22 20.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.0 t80 37.18 41.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -123.21 -18.45 6.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.682 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -41.44 -40.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -46.66 120.64 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.29 -31.43 5.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -71.13 151.62 44.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.353 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 125' ' ' VAL . 6.6 p -109.31 137.77 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.78 -164.63 12.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -131.19 130.06 42.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 123' ' ' ASP . 2.8 m -65.43 103.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.519 HG21 ' HE2' ' A' ' 110' ' ' LYS . 34.7 m -77.01 -30.37 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.186 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.459 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 6.4 tttp -170.68 160.06 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.48 HG23 ' CD2' ' A' ' 102' ' ' TYR . 44.0 mt -124.21 148.79 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -142.03 156.83 45.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -63.41 -46.15 87.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.49 -36.07 82.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.723 ' CE1' HG22 ' A' ' 112' ' ' ILE . 2.1 t-80 -169.05 -175.56 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 102' ' ' TYR . 0.9 OUTLIER -118.13 152.89 34.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.631 HD12 ' HD3' ' A' ' 110' ' ' LYS . 3.2 mm? -106.58 116.35 31.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.542 HG21 ' HB3' ' A' ' 113' ' ' ALA . 1.1 t -121.1 121.89 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.499 ' HB2' HG11 ' A' ' 95' ' ' VAL . 10.5 tt0 -87.68 106.72 18.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.56 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 41.3 t -109.77 119.39 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 62.27 30.93 17.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.03 30.13 48.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -145.72 123.99 12.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.631 ' HD3' HD12 ' A' ' 103' ' ' LEU . 60.9 mttt -62.24 142.85 57.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.56 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 90.7 m95 -134.31 172.04 13.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.723 HG22 ' CE1' ' A' ' 101' ' ' HIS . 4.5 mp -109.5 100.08 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.716 ' C ' ' CE1' ' A' ' 101' ' ' HIS . . . -122.5 153.66 38.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.514 ' CD1' ' N ' ' A' ' 114' ' ' TYR . 0.6 OUTLIER -119.74 129.12 54.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 p -117.86 134.41 54.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -75.11 -18.83 60.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 118' ' ' LYS . 30.3 mt-10 -117.37 111.57 19.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 117' ' ' GLU . 9.0 ptpp? -37.67 105.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.0 mt -74.36 173.31 10.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.414 ' CB ' ' OD2' ' A' ' 123' ' ' ASP . 0.7 OUTLIER -123.26 135.16 54.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 34.3 mt -47.41 120.73 3.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.607 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 97.97 3.69 57.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.544 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.778 ' O ' HG22 ' A' ' 94' ' ' VAL . 78.2 m-20 -84.18 133.31 34.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -82.37 136.12 35.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 139' ' ' ARG . 29.8 m -141.92 144.81 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 31.1 ttp -109.13 134.39 51.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.567 ' CG2' HD12 ' A' ' 135' ' ' LEU . 70.2 t -66.43 121.66 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.5 p -84.9 -35.53 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -162.94 145.69 10.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 1.013 HG22 ' HB3' ' A' ' 135' ' ' LEU . 75.7 t -111.6 118.36 57.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.49 48.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.415 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 97.91 -109.06 3.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -87.57 6.84 32.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -132.25 149.14 52.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 1.013 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -142.77 112.97 7.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -60.62 132.22 53.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 26.8 m -118.24 137.64 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -124.16 122.44 37.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.652 ' HA ' HG12 ' A' ' 125' ' ' VAL . 3.6 ttm-85 -45.93 135.93 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.472 HD11 HG21 ' A' ' 91' ' ' VAL . 31.6 pt -124.16 147.15 53.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.731 . . . . 0.0 111.121 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 150.15 67.42 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 178.18 4.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -93.55 1.66 56.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.9 mt -90.13 41.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.454 ' NE ' ' HA ' ' A' ' 72' ' ' ARG . 12.1 mmp_? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.769 0.319 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -85.5 -47.43 9.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -58.2 171.78 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -103.7 124.78 49.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.1 m -55.44 -50.07 70.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.083 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -136.86 111.51 8.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.7 pt -66.82 -25.46 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.19 -37.54 3.39 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.5 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.19 -48.06 48.81 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.477 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.03 164.04 29.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -98.58 38.68 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.793 0.33 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -118.83 111.81 18.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 t -106.41 -20.75 13.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.0 t80 59.22 43.78 16.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 88' ' ' LYS . 20.5 mt-10 -125.17 -26.52 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.664 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -32.9 -35.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 86' ' ' GLU . 12.5 tptp -41.48 109.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.94 -37.22 3.7 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -62.52 154.47 28.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.461 HG13 HD11 ' A' ' 140' ' ' ILE . 84.1 t -100.13 135.65 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.98 160.19 13.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.535 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.24 133.91 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.71 HG21 ' HB3' ' A' ' 123' ' ' ASP . 92.9 t -72.28 95.99 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 96' ' ' LYS . 19.6 m -78.31 -42.62 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.482 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 22.6 tttp -156.22 170.33 22.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.754 HG23 ' CD2' ' A' ' 102' ' ' TYR . 18.5 mt -142.0 135.91 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -139.19 146.3 40.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -57.3 -47.76 80.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.68 -32.91 74.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.797 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 12.8 p80 -170.02 163.9 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.754 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.3 m-85 -110.61 152.46 26.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 96' ' ' LYS . 27.4 mt -108.22 115.34 29.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -122.15 136.4 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -100.98 103.25 14.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.554 HG11 ' HB3' ' A' ' 87' ' ' LEU . 45.6 t -108.83 129.94 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 49.48 31.83 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.16 34.19 42.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.442 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -141.57 136.38 31.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -82.2 123.33 28.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.472 ' HB3' ' CD1' ' A' ' 135' ' ' LEU . 93.7 m95 -117.97 174.5 6.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.6 mp -116.14 94.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -110.63 163.14 14.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.534 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.7 p90 -137.49 121.47 17.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.8 m -131.87 110.77 11.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -45.72 -32.0 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.42 112.5 10.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -51.53 111.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.464 HD13 HG11 ' A' ' 125' ' ' VAL . 53.6 mt -87.45 -175.77 5.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.952 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.434 ' O ' HG11 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -142.59 151.78 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 30.6 mt -59.62 136.62 58.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.35 1.9 88.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.71 ' HB3' HG21 ' A' ' 94' ' ' VAL . 25.8 t0 -74.89 175.34 8.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -121.18 131.46 54.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.464 HG11 HD13 ' A' ' 119' ' ' LEU . 21.9 m -140.71 134.39 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.46 ' HB2' HG22 ' A' ' 91' ' ' VAL . 25.4 ttm -103.53 149.6 24.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.436 ' N ' ' HG2' ' A' ' 126' ' ' MET . 69.9 t -82.07 122.34 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.712 HG12 ' O ' ' A' ' 136' ' ' LYS . 14.6 p -98.48 -27.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -157.42 146.01 19.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.685 HG22 HD23 ' A' ' 135' ' ' LEU . 43.1 t -127.41 121.02 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -108.56 25.63 11.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.415 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 118.04 -102.55 0.98 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.43 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.6 tp -86.12 -10.43 54.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.883 0.373 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -115.63 138.89 50.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.685 HD23 HG22 ' A' ' 130' ' ' VAL . 0.2 OUTLIER -131.52 105.78 7.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.712 ' O ' HG12 ' A' ' 128' ' ' VAL . 7.6 tmtm? -55.87 108.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 135' ' ' LEU . 6.2 m -104.26 149.5 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -123.69 152.43 42.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -67.38 119.28 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.461 HD11 HG13 ' A' ' 91' ' ' VAL . 12.2 pt -127.26 140.69 38.6 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 111.097 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.92 58.45 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.721 2.281 . . . . 0.0 112.306 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' PRO . . . . . 0.419 ' HG2' ' C ' ' A' ' 145' ' ' GLU . 53.6 Cg_endo -69.83 128.18 15.6 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.334 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -45.2 -34.01 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.9 mt -85.64 37.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.419 ' C ' ' HG2' ' A' ' 142' ' ' PRO . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.783 0.325 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 74' ' ' GLU . 4.7 mpt_? -48.31 -48.02 36.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 73' ' ' ARG . 1.7 tt0 -33.61 149.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 75' ' ' THR . 15.1 t -92.19 55.01 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.6 m -79.73 -40.55 28.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -74.33 139.87 44.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.475 ' H ' HD12 ' A' ' 78' ' ' ILE . 4.3 mp -61.75 -48.52 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 68.68 108.82 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.418 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.72 -117.56 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 100.32 124.52 5.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.502 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -85.86 39.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -119.82 114.89 22.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.0 t -122.48 -10.69 8.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.096 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.3 t80 47.18 40.74 10.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 87' ' ' LEU . 22.2 mt-10 -123.89 -26.14 4.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.704 HD21 ' CZ2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -35.96 -34.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -50.06 98.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.849 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.22 -29.81 7.13 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.533 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -73.55 167.48 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 125' ' ' VAL . 66.2 t -106.96 138.4 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.38 157.48 18.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -103.03 121.26 42.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 123' ' ' ASP . 4.5 m -65.85 88.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.2 m -66.81 -32.5 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.473 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 41.5 tttt -155.57 165.92 35.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.675 HG23 ' CD2' ' A' ' 102' ' ' TYR . 21.2 mt -137.9 137.62 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -146.15 134.6 21.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -44.6 -52.99 7.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.7 -39.99 74.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.631 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 40.3 p-80 -168.44 162.35 12.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.675 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.0 OUTLIER -108.97 143.87 37.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.11 109.31 22.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.439 HG21 ' HB3' ' A' ' 113' ' ' ALA . 1.2 t -116.96 129.16 73.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -94.82 105.31 17.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.459 HG11 ' HB3' ' A' ' 87' ' ' LEU . 23.2 t -110.71 125.02 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 57.65 30.05 18.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.53 27.35 57.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.454 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -141.49 127.92 20.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -65.64 142.55 58.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.704 ' CZ2' HD21 ' A' ' 87' ' ' LEU . 89.2 m95 -133.95 172.78 12.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 112' ' ' ILE . 5.1 mp -114.8 93.56 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -112.18 150.39 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.482 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 1.7 p90 -122.13 121.7 37.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.0 m -127.61 107.66 10.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -54.36 -28.89 46.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -81.09 111.03 17.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.4 113.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 76.1 mt -91.92 163.14 14.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.48 134.74 54.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.473 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 10.3 mt -53.56 121.6 8.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.588 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 96.57 5.5 58.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.531 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.646 ' O ' HG22 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -80.35 146.26 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.861 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.469 ' HG2' HG11 ' A' ' 91' ' ' VAL . 19.6 ttt180 -92.91 120.08 32.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.737 ' O ' HG13 ' A' ' 91' ' ' VAL . 15.8 m -124.6 160.85 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 43.3 ttm -125.58 131.21 52.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.72 HG13 ' HB2' ' A' ' 135' ' ' LEU . 59.5 t -67.0 126.87 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.73 -32.59 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -146.81 144.97 29.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.794 HG22 ' HB3' ' A' ' 135' ' ' LEU . 11.9 t -133.63 119.23 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -103.63 28.6 6.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.497 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 110.69 -107.73 2.29 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.461 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.2 tp -83.22 20.16 1.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.928 0.394 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.688 ' C ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -159.66 138.39 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.877 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -142.32 148.02 37.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 137' ' ' VAL . 9.6 tmtt? -84.79 140.29 31.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.467 ' N ' ' HD3' ' A' ' 136' ' ' LYS . 17.1 m -121.29 145.21 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -115.38 129.43 56.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -59.56 121.18 10.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 46.9 pt -127.03 138.31 32.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 167.18 25.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 174.4 9.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -98.59 -25.78 14.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.6 mt -85.86 36.68 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' A' ' 73' ' ' ARG . 1.8 mpp_? -84.46 6.53 23.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -40.03 111.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.5 m -81.01 114.64 20.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.1 m -134.95 101.41 4.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -93.96 121.53 35.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 72.4 mt -90.46 -57.5 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.82 -134.38 6.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.8 114.32 3.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.84 -157.13 15.79 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.451 ' O ' ' CH2' ' A' ' 111' ' ' TRP . 5.3 mtpp -99.18 -8.11 25.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.827 0.346 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.517 ' CD1' ' N ' ' A' ' 83' ' ' TYR . 2.2 m-30 -96.24 97.2 9.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.7 t -115.67 -12.78 11.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.178 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.7 t80 49.89 42.86 24.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 87' ' ' LEU . 10.4 mm-40 -124.91 -24.61 4.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.651 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -34.42 -41.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' HA ' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -45.85 114.74 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.85 -33.95 6.17 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -72.43 168.07 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 125' ' ' VAL . 44.0 t -112.01 138.62 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.4 171.22 16.57 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.428 ' C ' ' HD2' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -117.28 126.68 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.326 . . . . 0.0 110.953 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.768 HG22 ' O ' ' A' ' 123' ' ' ASP . 4.2 m -68.18 102.22 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.4 m -81.86 -24.22 9.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.861 ' HA ' HD21 ' A' ' 121' ' ' LEU . 27.2 tttp -166.63 152.35 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.475 HG23 ' CD2' ' A' ' 102' ' ' TYR . 4.6 mp -123.99 138.66 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.794 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -144.65 133.1 21.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -46.22 -50.24 16.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -60.89 -38.01 84.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.794 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 32.4 p-80 -168.51 156.76 8.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.58 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.2 m-85 -102.47 149.44 24.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.588 HD12 ' HB3' ' A' ' 96' ' ' LYS . 18.0 mt -104.0 102.89 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -112.12 118.65 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -85.76 111.89 20.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 62.3 t -113.26 132.69 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 45.03 32.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.16 32.69 47.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.445 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 3.0 m-20 -145.65 117.61 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -64.25 141.66 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.718 ' CG ' HD11 ' A' ' 135' ' ' LEU . 95.7 m95 -131.13 173.44 11.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.952 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.483 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.4 mp -114.08 93.14 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -124.16 163.59 21.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.58 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 5.2 p90 -138.19 135.32 35.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.5 m -130.63 114.38 15.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.24 -27.82 1.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -79.76 116.8 20.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -53.34 98.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.9 mt -77.81 168.37 20.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 m -128.44 140.16 51.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.861 HD21 ' HA ' ' A' ' 96' ' ' LYS . 16.7 mt -53.0 120.73 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.596 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 98.79 7.32 55.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.768 ' O ' HG22 ' A' ' 94' ' ' VAL . 1.0 OUTLIER -91.29 134.88 34.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 110.864 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -80.61 141.95 34.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 91' ' ' VAL . 31.9 m -145.96 154.96 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 33.0 ttm -121.85 143.46 49.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.402 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 61.6 t -76.21 117.56 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 136' ' ' LYS . 8.6 p -93.57 -26.44 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -156.58 162.32 39.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.668 HG12 ' H ' ' A' ' 132' ' ' GLY . 79.3 t -144.87 144.89 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -127.64 19.49 6.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.668 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 120.87 -81.76 0.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.44 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.8 tp -101.95 -6.9 22.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.921 0.391 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.44 145.58 37.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.718 HD11 ' CG ' ' A' ' 111' ' ' TRP . 0.3 OUTLIER -135.01 91.51 2.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.563 ' O ' HG12 ' A' ' 128' ' ' VAL . 16.4 tttp -53.04 103.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 135' ' ' LEU . 16.4 m -101.0 155.22 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.123 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -138.03 145.8 42.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.431 ' NH1' ' O ' ' A' ' 140' ' ' ILE . 26.0 tpt85 -57.99 127.08 30.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.431 ' O ' ' NH1' ' A' ' 139' ' ' ARG . 36.6 pt -124.68 139.11 32.52 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.628 0.728 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 147.92 63.71 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -175.27 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -107.07 -28.58 9.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.7 34.78 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.923 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.792 0.33 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -45.42 -27.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' N ' ' HG2' ' A' ' 73' ' ' ARG . 43.0 mt-10 -67.25 139.07 57.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 75' ' ' THR . 9.0 t -152.13 116.16 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.6 m -113.33 -41.75 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -128.15 112.95 15.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 65.8 mt -60.36 -45.57 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.3 -73.84 0.43 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.524 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -173.3 98.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.463 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 124.69 141.47 5.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -89.99 36.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -119.15 112.31 19.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.528 HG23 ' H ' ' A' ' 86' ' ' GLU . 9.4 t -107.28 -25.51 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.2 t80 59.94 38.73 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.528 ' H ' HG23 ' A' ' 84' ' ' THR . 25.4 mm-40 -124.34 -15.74 6.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.651 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -37.22 -35.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.98 109.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.03 -36.96 3.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -61.81 158.14 16.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.652 HG22 ' HB2' ' A' ' 126' ' ' MET . 86.9 t -111.59 129.06 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.3 -162.32 13.5 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -140.72 120.52 13.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.518 HG23 ' H ' ' A' ' 122' ' ' GLY . 9.0 m -58.76 118.99 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 96' ' ' LYS . 33.8 m -98.66 -43.06 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.533 ' HB3' HD12 ' A' ' 103' ' ' LEU . 9.1 ttpt -146.59 155.16 42.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.504 HG23 ' CD2' ' A' ' 102' ' ' TYR . 19.6 mt -124.42 146.94 29.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -159.25 130.98 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.61 -48.61 10.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.92 -36.71 77.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.64 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 16.9 p80 -173.05 160.62 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.0 OUTLIER -109.46 145.91 35.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 96' ' ' LYS . 26.9 mt -101.23 118.36 36.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.647 HG21 HG11 ' A' ' 137' ' ' VAL . 1.3 t -126.02 120.42 56.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -85.77 106.57 17.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.551 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 38.6 t -105.12 131.22 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 43.6 37.8 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.98 33.47 57.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.525 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 3.8 m-20 -145.92 117.36 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -57.94 147.0 30.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.643 ' CZ2' HD11 ' A' ' 87' ' ' LEU . 96.7 m95 -141.33 174.24 10.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 44.4 mm -118.94 100.01 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.453 ' CB ' HG13 ' A' ' 137' ' ' VAL . . . -120.26 158.68 26.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.568 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.1 p90 -131.18 126.09 34.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.8 t -119.96 131.95 55.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -66.82 -25.09 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 118' ' ' LYS . 12.4 pt-20 -101.71 114.27 28.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 117' ' ' GLU . 39.6 mtmt -37.1 113.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.2 mt -81.85 -175.17 5.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.448 ' O ' HG21 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -124.51 -174.81 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.419 HD22 ' O ' ' A' ' 95' ' ' VAL . 78.3 mt -108.59 119.59 39.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.518 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 93.23 -1.07 69.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.553 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.472 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 4.6 t70 -73.79 165.91 24.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -104.47 125.33 50.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.2 m -131.92 159.16 43.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.652 ' HB2' HG22 ' A' ' 91' ' ' VAL . 35.0 ttm -126.87 145.26 50.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.606 HG13 ' HB2' ' A' ' 135' ' ' LEU . 59.4 t -69.2 109.39 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.62 HG21 ' HE3' ' A' ' 138' ' ' LYS . 13.2 p -77.81 -36.66 22.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -160.54 142.47 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.477 HG22 ' H ' ' A' ' 132' ' ' GLY . 7.9 p -149.46 137.58 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -124.8 11.07 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.477 ' H ' HG22 ' A' ' 130' ' ' VAL . . . 168.22 -96.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.753 ' O ' HD23 ' A' ' 133' ' ' LEU . 1.9 tt -108.75 3.95 23.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -116.24 100.46 7.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.815 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -107.15 79.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 135' ' ' LEU . 47.5 tttm -33.48 126.28 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.647 HG11 HG21 ' A' ' 104' ' ' VAL . 35.0 m -106.61 141.59 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.62 ' HE3' HG21 ' A' ' 128' ' ' VAL . 4.2 mtmp? -128.66 141.41 51.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -63.82 118.82 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 18.4 pt -120.12 138.23 26.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.642 0.734 . . . . 0.0 111.127 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 149.73 67.52 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.398 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' PRO . . . . . 0.517 ' HB2' HD23 ' A' ' 144' ' ' LEU . 53.9 Cg_endo -69.79 -165.86 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.688 2.258 . . . . 0.0 112.365 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -117.48 -28.96 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' ' 142' ' ' PRO . 1.3 pt? -75.41 -13.01 60.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.0 mtt-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -91.04 -41.11 11.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -150.35 152.2 34.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.3 t -84.61 27.34 0.73 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.497 ' O ' HG22 ' A' ' 76' ' ' THR . 18.7 m 58.38 47.77 13.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -145.16 129.48 17.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.6 mt -44.62 -53.73 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 48.69 43.94 29.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -139.39 -138.62 3.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.469 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -82.36 162.61 42.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.429 ' CD ' ' HG ' ' A' ' 133' ' ' LEU . 16.1 mtpp -95.84 -42.12 8.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.446 ' CD1' ' N ' ' A' ' 83' ' ' TYR . 0.9 OUTLIER -131.07 -57.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.558 HG23 ' H ' ' A' ' 86' ' ' GLU . 11.2 t -132.74 -32.14 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 3.2 t80 50.02 46.25 24.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.558 ' H ' HG23 ' A' ' 84' ' ' THR . 52.0 mt-10 -124.97 -22.46 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.636 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -33.8 -38.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 86' ' ' GLU . 8.4 tptm -43.32 106.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.52 -36.04 4.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.67 151.72 41.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.468 HG21 HD11 ' A' ' 140' ' ' ILE . 9.5 p -108.66 138.5 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.11 178.49 17.5 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -114.02 132.5 55.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 123' ' ' ASP . 3.1 m -69.88 93.56 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.99 -37.57 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.602 ' HB3' HD12 ' A' ' 103' ' ' LEU . 19.8 tttm -153.37 151.13 29.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.622 HG23 ' CD2' ' A' ' 102' ' ' TYR . 21.9 mt -123.52 140.08 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -151.37 131.73 13.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -44.26 -50.98 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.66 -37.88 76.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.652 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 38.0 p-80 -169.16 157.39 7.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.622 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -109.42 141.58 41.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.602 HD12 ' HB3' ' A' ' 96' ' ' LYS . 37.0 mt -99.39 106.32 18.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.535 HG21 HG11 ' A' ' 137' ' ' VAL . 1.5 t -114.6 120.29 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.41 117.1 22.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.517 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 46.2 t -126.26 127.33 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 53.03 37.92 25.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.73 29.27 71.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.41 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 2.5 m-20 -144.11 113.8 7.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -59.91 138.38 57.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.558 ' CE3' HD21 ' A' ' 135' ' ' LEU . 91.9 m95 -126.01 170.58 11.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.415 HG23 ' HB2' ' A' ' 101' ' ' HIS . 18.4 mt -115.22 94.74 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -111.18 161.33 16.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.518 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.2 p90 -131.46 121.63 24.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.967 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.7 t -125.74 119.97 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -59.59 -23.48 62.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -86.88 114.74 23.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -50.19 101.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.4 mt -78.28 178.36 7.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.79 136.31 47.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 17.6 mt -48.53 120.35 3.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.585 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 96.59 4.81 59.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.693 ' O ' HG22 ' A' ' 94' ' ' VAL . 48.0 m-20 -79.61 133.43 36.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -78.88 124.26 28.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.527 HG12 ' HA ' ' A' ' 139' ' ' ARG . 21.2 m -133.47 142.2 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 36.3 ttp -109.34 142.2 40.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.613 HG13 ' HB2' ' A' ' 135' ' ' LEU . 40.8 t -67.45 118.07 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.432 ' CG1' ' HB2' ' A' ' 136' ' ' LYS . 14.6 p -89.21 -20.87 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -172.67 149.44 2.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.545 HG12 ' H ' ' A' ' 132' ' ' GLY . 62.6 t -122.74 136.99 57.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.9 23.33 6.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.545 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 106.51 -100.14 1.58 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.429 ' HG ' ' CD ' ' A' ' 82' ' ' LYS . 8.1 mt -91.4 29.32 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 110.93 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.421 ' C ' HD23 ' A' ' 135' ' ' LEU . 8.5 pttm -169.21 135.41 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.613 ' HB2' HG13 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -140.32 131.47 26.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.432 ' HB2' ' CG1' ' A' ' 128' ' ' VAL . 23.6 mtpp -69.61 133.0 47.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.535 HG11 HG21 ' A' ' 104' ' ' VAL . 35.2 m -118.57 129.43 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -107.93 132.5 53.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.527 ' HA ' HG12 ' A' ' 125' ' ' VAL . 3.3 tpp85 -60.14 122.15 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.468 HD11 HG21 ' A' ' 91' ' ' VAL . 30.6 pt -127.1 140.37 37.64 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.633 0.73 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 132.77 23.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.64 2.227 . . . . 0.0 112.317 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 177.0 6.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.236 . . . . 0.0 112.35 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -121.15 45.07 2.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 3.0 pp -120.86 25.23 9.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.747 0.308 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 -64.56 -7.82 11.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -51.36 122.8 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.8 m -138.3 120.73 16.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.4 p -104.13 -46.51 4.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 t70 39.85 37.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.1 pt -44.21 -30.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.85 -46.68 2.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 178.97 115.03 0.44 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.516 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.13 160.36 32.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -93.91 -7.48 42.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.774 0.321 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.529 ' OH ' HD11 ' A' ' 133' ' ' LEU . 8.4 m-30 -70.98 112.5 7.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.009 0.433 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.473 HG23 ' H ' ' A' ' 86' ' ' GLU . 9.0 t -124.56 -18.66 5.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.144 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.457 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 56.02 40.43 30.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.473 ' H ' HG23 ' A' ' 84' ' ' THR . 79.7 mm-40 -126.16 -24.96 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.766 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -32.44 -40.36 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -44.4 113.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.15 -35.25 5.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.495 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.3 150.12 43.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.567 HG21 HD11 ' A' ' 140' ' ' ILE . 12.1 p -99.91 138.09 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.98 175.37 16.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -117.3 123.05 45.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.937 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.813 HG22 ' O ' ' A' ' 123' ' ' ASP . 3.3 m -63.92 117.28 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.844 HG23 HD13 ' A' ' 103' ' ' LEU . 27.9 m -101.04 -14.21 8.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.494 ' HA ' HD21 ' A' ' 121' ' ' LEU . 21.4 tptm -163.64 161.98 23.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.553 HG23 ' CZ ' ' A' ' 102' ' ' TYR . 5.3 mp -143.01 138.26 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -150.39 129.5 12.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' ALA . 9.0 tt0 -38.18 -56.72 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -54.66 -42.35 71.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.719 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 27.3 p80 -168.09 145.92 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.553 ' CZ ' HG23 ' A' ' 97' ' ' ILE . 4.6 m-30 -96.46 163.73 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.844 HD13 HG23 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -116.39 111.63 20.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.503 HG21 HG11 ' A' ' 137' ' ' VAL . 0.5 OUTLIER -119.96 123.58 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -84.34 128.93 34.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.563 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 43.1 t -126.67 131.48 71.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 39.05 41.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.59 32.04 62.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.599 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 64.9 m-20 -142.79 111.72 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.57 ' HD3' HD11 ' A' ' 103' ' ' LEU . 26.4 mttm -57.51 142.54 43.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 109' ' ' ASP . 99.6 m95 -140.07 149.8 43.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.541 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.1 mp -99.14 98.52 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -115.69 166.33 12.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.037 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 114' ' ' TYR . 1.5 p90 -139.44 125.22 19.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -126.39 126.6 44.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -53.46 -24.31 12.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.48 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 6.6 pt-20 -95.09 115.54 27.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -56.67 117.74 4.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.9 mt -91.64 -176.57 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.93 138.42 46.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.494 HD21 ' HA ' ' A' ' 96' ' ' LYS . 59.4 mt -44.17 117.36 1.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.57 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 100.11 0.29 56.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.813 ' O ' HG22 ' A' ' 94' ' ' VAL . 34.8 m-20 -75.59 132.32 40.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.77 0.319 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 40.7 mtm-85 -81.38 134.57 35.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 139' ' ' ARG . 28.2 m -142.37 146.31 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 14.0 ttm -106.22 131.42 53.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.665 HG13 ' HB2' ' A' ' 135' ' ' LEU . 59.8 t -60.17 108.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.3 -38.96 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -167.15 150.59 6.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.904 HG22 ' HB3' ' A' ' 135' ' ' LEU . 97.8 t -122.59 135.56 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -121.58 -11.82 8.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 157.56 -100.01 0.19 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.529 HD11 ' OH ' ' A' ' 83' ' ' TYR . 4.2 mm? -99.16 17.65 19.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -153.71 106.04 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.904 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -110.91 136.99 49.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -67.53 148.68 51.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.503 HG11 HG21 ' A' ' 104' ' ' VAL . 20.1 m -136.82 133.85 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -124.52 125.26 43.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.59 ' HA ' HG12 ' A' ' 125' ' ' VAL . 14.6 ttt180 -50.81 135.3 24.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.567 HD11 HG21 ' A' ' 91' ' ' VAL . 30.5 pt -126.8 143.95 48.37 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.631 0.729 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 162.25 42.78 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.366 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 173.45 10.96 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -126.09 78.95 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.7 mp 44.12 25.07 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -90.5 -40.8 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -74.14 175.87 7.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.1 p -82.8 47.26 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.0 m -88.62 -52.56 5.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.204 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 2.0 t0 -75.12 111.98 10.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.6 ' H ' HD12 ' A' ' 78' ' ' ILE . 5.2 mp -60.2 -44.68 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.21 48.84 80.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 174.25 52.8 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 56.37 -124.58 35.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -107.39 2.42 24.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.5 m-30 -79.42 109.93 14.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.494 HG23 ' H ' ' A' ' 86' ' ' GLU . 10.1 t -124.77 -17.85 5.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.526 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.5 t80 51.73 39.19 24.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.494 ' H ' HG23 ' A' ' 84' ' ' THR . 44.2 mt-10 -123.64 -20.28 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.688 HD11 ' CZ2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -33.93 -39.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.933 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HA ' ' CG1' ' A' ' 127' ' ' VAL . 5.8 ttpm? -48.28 133.68 15.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.32 -31.0 2.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -75.53 158.55 32.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 125' ' ' VAL . 7.7 p -111.17 136.93 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.24 -178.37 15.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -122.87 115.95 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.508 HG23 ' H ' ' A' ' 122' ' ' GLY . 14.6 m -57.45 114.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.7 m -87.69 -29.99 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.472 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 22.3 tttt -162.83 155.53 19.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.552 HG23 ' CD2' ' A' ' 102' ' ' TYR . 5.1 mp -125.26 143.77 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -141.95 152.83 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -63.86 -42.19 97.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -71.99 -31.65 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.632 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 54.1 p-80 -168.02 176.93 5.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.552 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.6 m-85 -120.09 143.49 48.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -101.22 106.88 18.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.7 t -113.1 153.5 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -118.23 115.04 23.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.52 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 63.2 t -120.14 123.33 70.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 48.72 36.88 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.6 37.93 57.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.446 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 27.4 m-20 -145.68 117.56 8.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -63.37 135.95 57.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.688 ' CZ2' HD11 ' A' ' 87' ' ' LEU . 99.4 m95 -131.07 146.43 52.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.499 HD12 ' CD2' ' A' ' 101' ' ' HIS . 41.4 mm -93.22 91.82 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.183 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -109.58 165.73 11.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.465 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.1 p90 -143.08 121.62 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 72.5 m -134.25 144.66 48.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -85.0 -17.9 36.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.23 118.85 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -49.14 97.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.412 HD12 ' HD2' ' A' ' 102' ' ' TYR . 72.5 mt -82.23 172.94 12.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.35 134.5 36.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.472 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 24.8 mt -48.37 118.94 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.508 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 89.46 11.95 63.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.495 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 15.7 t0 -82.62 149.59 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -88.15 130.05 35.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 91' ' ' VAL . 32.7 m -140.66 147.83 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 29.4 ttm -113.0 129.62 56.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 68.9 t -62.7 127.0 22.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 136' ' ' LYS . 5.9 p -91.3 -30.66 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -164.53 155.89 15.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.804 HG22 ' HB3' ' A' ' 135' ' ' LEU . 64.5 t -130.89 111.8 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -95.59 23.15 6.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.567 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 116.6 -97.73 0.77 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.48 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.9 mp -96.54 9.8 40.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -141.19 119.33 12.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.804 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -122.37 128.45 50.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.459 ' O ' HG12 ' A' ' 128' ' ' VAL . 77.6 mttt -74.25 137.34 42.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.7 m -114.24 140.15 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.581 ' O ' HG23 ' A' ' 140' ' ' ILE . 5.5 mtmp? -122.62 118.16 27.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -44.55 130.51 6.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 138' ' ' LYS . 49.6 pt -127.01 139.39 34.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.666 0.746 . . . . 0.0 111.088 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 160.49 49.53 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.367 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -178.57 2.38 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.706 2.271 . . . . 0.0 112.3 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -110.17 39.9 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 68.5 mt -52.06 -39.8 60.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' GLU . 8.3 mtp180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.795 0.331 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -41.62 -24.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 72' ' ' ARG . 11.1 mm-40 -72.22 106.28 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.0 p -131.28 107.06 8.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.8 m -85.8 -50.86 6.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -62.96 127.67 32.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.7 mt -87.53 -57.47 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.163 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.74 82.38 0.97 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.97 118.05 4.43 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.39 103.08 0.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.493 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -101.28 40.43 1.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.794 0.331 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -119.98 118.44 30.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.0 t -109.99 -17.55 13.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.183 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.1 t80 55.11 44.16 28.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 87' ' ' LEU . 75.1 mt-10 -125.88 -26.31 3.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.665 ' H ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -32.79 -41.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.483 ' CE ' ' HA ' ' A' ' 129' ' ' ASP . 5.7 tppt? -43.74 103.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.22 -34.84 5.44 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -63.93 143.53 57.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.1 t -100.92 132.75 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -126.34 -160.19 10.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.533 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -131.32 151.27 51.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.967 HG22 ' O ' ' A' ' 123' ' ' ASP . 15.6 m -87.29 99.64 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.185 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.754 HG21 ' CD ' ' A' ' 110' ' ' LYS . 23.2 m -76.78 -18.71 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 27.1 tptt -173.95 153.04 2.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.961 HG23 ' CD2' ' A' ' 102' ' ' TYR . 17.9 mt -129.38 140.26 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -157.36 130.77 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -44.29 -48.93 9.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -58.25 -35.74 72.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.555 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 40.0 p-80 -174.4 154.49 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.961 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -113.63 142.36 46.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.439 ' HB3' ' CG2' ' A' ' 95' ' ' VAL . 4.4 mm? -102.62 109.26 20.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.463 HG21 HG11 ' A' ' 137' ' ' VAL . 1.4 t -114.84 115.61 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -75.37 104.99 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.498 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 26.3 t -115.15 121.67 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 58.19 31.7 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.53 27.72 56.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.4 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 29.1 m-20 -145.04 115.7 7.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.754 ' CD ' HG21 ' A' ' 95' ' ' VAL . 25.3 mtmm -68.06 119.74 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.554 ' HB3' HD21 ' A' ' 135' ' ' LEU . 85.6 m95 -103.64 171.54 7.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.5 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.4 mp -111.23 92.68 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -117.17 166.41 12.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.573 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 0.2 OUTLIER -133.16 131.81 40.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.4 m -131.35 107.95 9.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -48.57 -26.21 2.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -85.15 114.02 21.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -48.06 115.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.4 mt -90.48 171.68 9.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.606 ' O ' HG21 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -118.02 135.01 54.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 62.6 mt -56.51 126.29 25.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.622 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 92.31 -0.04 71.11 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.967 ' O ' HG22 ' A' ' 94' ' ' VAL . 10.5 t70 -84.67 146.63 27.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.347 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.06 154.5 18.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.48 ' CG2' ' HB ' ' A' ' 137' ' ' VAL . 34.6 m -154.01 157.17 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ttp -113.0 138.29 50.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.669 HG13 ' HB2' ' A' ' 135' ' ' LEU . 69.9 t -73.29 105.33 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.56 HG21 ' HG3' ' A' ' 138' ' ' LYS . 3.2 t -67.21 -41.68 87.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.483 ' HA ' ' CE ' ' A' ' 88' ' ' LYS . 35.5 t0 -159.46 149.22 18.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.9 HG22 ' HB3' ' A' ' 135' ' ' LEU . 99.1 t -120.13 116.5 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -105.12 45.49 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 106.59 -113.3 4.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.436 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.26 1.71 43.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.743 ' C ' HD23 ' A' ' 135' ' ' LEU . 10.2 mmtp -119.46 161.85 19.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.9 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -160.13 107.74 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -58.37 129.2 40.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.48 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 26.9 m -114.96 135.46 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.56 ' HG3' HG21 ' A' ' 128' ' ' VAL . 19.0 mttm -114.41 133.49 55.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.42 ' HA ' HG12 ' A' ' 125' ' ' VAL . 15.9 tpt85 -62.03 122.81 16.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 34.0 pt -123.37 139.28 31.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 161.15 47.05 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 140.79 43.43 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -91.2 30.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 144' ' ' LEU . 1.9 pp -56.37 -22.63 32.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.771 0.319 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -64.27 -46.81 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -42.36 162.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 75' ' ' THR . 5.0 t -57.72 112.16 1.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 28.9 m -153.08 110.66 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.07 151.45 40.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.0 pt -54.55 -34.73 29.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.1 -45.14 2.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.444 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 175.94 -72.9 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 173.83 -167.55 40.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.5 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 4.9 ptpp? -88.31 33.22 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.5 ' CE1' ' HG3' ' A' ' 82' ' ' LYS . 2.5 m-85 -117.75 112.47 20.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.2 t -114.25 -13.83 12.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.504 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.8 t80 50.67 41.31 25.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.48 ' O ' ' C ' ' A' ' 87' ' ' LEU . 7.2 mm-40 -126.12 -22.98 3.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.688 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -31.42 -44.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -58.62 95.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.02 -31.22 3.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.497 ' HD2' ' CG1' ' A' ' 106' ' ' VAL . 0.5 OUTLIER -90.22 158.89 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.958 HG21 HD11 ' A' ' 140' ' ' ILE . 5.7 p -110.91 139.1 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -126.37 -166.28 12.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -126.09 135.97 52.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.653 HG21 ' HB2' ' A' ' 123' ' ' ASP . 1.3 m -74.79 118.14 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.545 HG21 ' HE3' ' A' ' 110' ' ' LYS . 27.1 m -86.16 -30.54 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.489 ' HA ' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -164.37 153.44 13.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.649 HG23 ' CD2' ' A' ' 102' ' ' TYR . 3.9 mp -124.32 143.93 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -148.61 137.3 21.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -47.72 -51.3 22.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.63 -38.58 81.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.693 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 48.4 p-80 -167.68 163.04 14.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.649 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -109.43 147.24 33.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 103' ' ' LEU . 4.0 mm? -106.05 107.66 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.427 HG21 HG11 ' A' ' 137' ' ' VAL . 1.7 t -112.41 143.63 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -110.18 100.53 9.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.497 ' CG1' ' HD2' ' A' ' 90' ' ' LYS . 21.0 t -107.04 130.76 58.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 46.06 44.73 11.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 63.37 37.76 95.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -144.98 128.94 17.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.545 ' HE3' HG21 ' A' ' 95' ' ' VAL . 23.2 mtpt -73.35 136.9 44.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.585 ' CE3' HD21 ' A' ' 135' ' ' LEU . 99.5 m95 -133.6 158.51 43.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 34.9 mm -106.59 90.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -106.48 160.62 15.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.516 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 1.8 p90 -132.83 121.66 23.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.1 t -128.97 118.29 22.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -53.56 -27.75 27.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -83.91 115.0 22.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 pttm -51.99 120.82 5.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.8 mt -99.55 178.94 4.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.421 ' N ' ' OD2' ' A' ' 123' ' ' ASP . 1.2 m -139.08 133.12 31.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.508 HD12 ' CD1' ' A' ' 97' ' ' ILE . 9.9 mp -39.21 124.03 1.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.456 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 96.84 -5.88 64.21 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.43 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.653 ' HB2' HG21 ' A' ' 94' ' ' VAL . 24.4 m-20 -66.17 143.03 57.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.455 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 14.7 tpp180 -91.55 130.58 37.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.737 ' O ' HG23 ' A' ' 91' ' ' VAL . 23.3 m -143.5 146.77 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 19.3 ttm -113.12 122.68 48.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.547 HG13 ' HB2' ' A' ' 135' ' ' LEU . 9.9 t -49.27 131.55 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 136' ' ' LYS . 7.3 p -113.9 -15.47 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -160.62 156.7 26.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.715 HG22 ' HB3' ' A' ' 135' ' ' LEU . 54.1 t -140.89 108.7 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -94.5 27.39 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.485 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 96.01 -85.74 0.91 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.543 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.7 tp -86.77 -0.68 56.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.95 0.405 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.791 ' C ' HD23 ' A' ' 135' ' ' LEU . 47.0 mtmt -140.54 170.82 15.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.791 HD23 ' C ' ' A' ' 134' ' ' LYS . 0.2 OUTLIER -168.53 126.69 1.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.492 ' HB3' ' CG1' ' A' ' 128' ' ' VAL . 4.2 mmmm -59.06 170.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.427 HG11 HG21 ' A' ' 104' ' ' VAL . 33.5 m -151.58 135.5 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 140' ' ' ILE . 63.1 mttt -112.18 124.64 52.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.596 ' HA ' HG12 ' A' ' 125' ' ' VAL . 3.8 tpp85 -57.54 120.11 7.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.958 HD11 HG21 ' A' ' 91' ' ' VAL . 37.4 pt -126.64 140.6 37.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 144.16 53.57 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.365 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' PRO . . . . . 0.842 ' HB2' HD23 ' A' ' 144' ' ' LEU . 53.2 Cg_endo -69.79 145.19 56.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.633 2.222 . . . . 0.0 112.341 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -75.69 -10.85 59.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.842 HD23 ' HB2' ' A' ' 142' ' ' PRO . 0.6 OUTLIER -97.36 20.67 11.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.606 ' O ' HG23 ' A' ' 75' ' ' THR . 80.7 mtm180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.851 0.357 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -90.16 6.09 44.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -114.23 30.65 7.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 72' ' ' ARG . 24.3 p -75.88 101.83 5.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 31.0 p -117.02 87.08 2.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -81.17 145.03 31.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.49 -56.36 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 60.48 45.4 96.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 168.73 77.37 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.54 138.4 10.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -84.94 31.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.727 0.299 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -116.61 123.45 47.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -133.14 -32.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.425 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 66.49 43.27 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 87' ' ' LEU . 16.7 pt-20 -124.9 -29.58 3.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.687 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -31.26 -44.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.58 110.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.24 -36.09 4.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -65.14 159.15 24.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.3 t -104.79 134.02 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.91 160.45 17.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -109.28 125.97 52.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 123' ' ' ASP . 3.2 m -66.69 120.55 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.5 m -98.63 -20.38 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.169 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 97' ' ' ILE . 11.8 tmtt? -174.06 147.94 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.543 HG23 ' CD2' ' A' ' 102' ' ' TYR . 3.8 mp -117.22 147.25 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -153.16 131.04 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -43.02 -52.79 5.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -56.74 -38.17 72.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.713 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 18.3 p80 -173.47 159.36 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.543 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.3 m-85 -102.4 148.98 24.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 103' ' ' LEU . 3.6 mm? -106.29 105.58 15.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 111' ' ' TRP . 1.1 t -112.9 129.96 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -94.41 104.55 16.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.489 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 21.3 t -106.16 130.42 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 47.48 36.42 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.8 30.17 60.05 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.548 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -145.65 118.04 8.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -58.73 149.28 26.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.609 ' CZ2' HD11 ' A' ' 87' ' ' LEU . 82.0 m95 -137.07 178.09 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 50.3 mm -121.75 99.32 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.762 ' HB2' HD22 ' A' ' 135' ' ' LEU . . . -124.8 160.83 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.5 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 5.6 p90 -133.18 122.03 23.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.0 t -130.52 142.1 50.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.97 -18.71 42.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.82 119.14 19.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -49.47 100.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 102' ' ' TYR . 42.3 mt -87.09 164.62 16.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 m -139.74 133.28 30.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.1 mp -42.81 112.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.597 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 109.14 0.73 31.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.714 ' O ' HG22 ' A' ' 94' ' ' VAL . 3.1 t70 -80.33 143.19 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.835 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -91.3 124.97 35.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.68 149.37 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.415 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 32.4 ttm -111.73 150.48 30.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.661 HG13 ' HB2' ' A' ' 135' ' ' LEU . 59.3 t -78.21 100.68 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.71 HG21 ' HG3' ' A' ' 138' ' ' LYS . 2.1 t -64.38 -39.11 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -165.08 154.95 13.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.6 p -157.69 127.25 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -103.66 -27.5 12.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.91 -93.38 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.0 tp -108.28 28.16 8.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -140.66 105.12 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.893 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -109.26 85.47 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.498 ' O ' HG23 ' A' ' 128' ' ' VAL . 4.4 mtpt -38.67 112.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 135' ' ' LEU . 16.4 m -107.68 129.47 61.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.71 ' HG3' HG21 ' A' ' 128' ' ' VAL . 19.8 mtmm -127.54 151.37 48.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -56.43 132.38 51.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.2 pt -125.98 140.13 36.04 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.624 0.726 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 147.63 63.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 176.92 6.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.258 . . . . 0.0 112.322 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -83.3 -40.1 19.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 145' ' ' GLU . 26.8 mt -41.64 -32.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 144' ' ' LEU . 20.7 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 73' ' ' ARG . 20.6 mtm-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 72' ' ' ARG . 30.9 ptt-85 -36.65 -50.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -142.32 140.3 32.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.2 p -47.98 107.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.0 m -100.84 47.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.165 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -121.54 44.72 2.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 9.6 mm -58.63 -53.98 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.7 64.5 3.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -109.31 -99.09 2.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -152.88 -129.36 1.41 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.576 ' HB3' ' CZ2' ' A' ' 111' ' ' TRP . 7.6 mttm -106.2 -15.27 14.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -83.03 21.08 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.8 t -68.51 -12.62 61.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.4 t80 57.16 41.67 26.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 87' ' ' LEU . 5.7 mm-40 -120.18 -22.93 6.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.651 ' H ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -36.75 -37.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 129.51 42.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.82 -29.47 6.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -71.59 168.05 18.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.445 ' CG1' ' HG2' ' A' ' 124' ' ' ARG . 56.0 t -119.22 124.57 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -118.01 -170.17 14.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.451 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -134.93 128.75 33.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.69 HG21 ' O ' ' A' ' 120' ' ' SER . 4.4 m -58.3 128.85 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.507 HG23 HD23 ' A' ' 103' ' ' LEU . 27.7 m -111.82 -11.28 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 103' ' ' LEU . 10.3 ttpp -173.67 150.67 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.586 HG23 ' CD2' ' A' ' 102' ' ' TYR . 5.2 mp -130.26 140.59 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -153.88 130.84 10.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -43.44 -50.88 6.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.64 -38.13 80.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.713 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 48.6 p-80 -168.55 157.8 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.586 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -108.42 146.62 32.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.57 HD21 ' HD3' ' A' ' 110' ' ' LYS . 8.8 tp -103.11 103.46 13.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.709 HG11 HG11 ' A' ' 137' ' ' VAL . 2.3 t -110.17 125.32 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -91.35 105.42 17.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.543 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 70.7 t -106.47 126.49 62.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 50.66 39.62 22.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.95 34.24 65.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.42 ' CG ' ' HG2' ' A' ' 82' ' ' LYS . 53.0 m-20 -145.7 121.72 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.872 0.368 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.57 ' HD3' HD21 ' A' ' 103' ' ' LEU . 54.7 mttt -63.76 143.03 58.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.631 ' CB ' HD11 ' A' ' 135' ' ' LEU . 96.9 m95 -136.19 166.11 24.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.444 HD13 HD12 ' A' ' 133' ' ' LEU . 4.3 mp -111.18 89.85 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -114.88 166.58 11.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.584 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.0 p90 -138.67 130.59 28.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.9 t -121.41 131.1 53.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -27.93 69.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 118' ' ' LYS . 13.7 pt-20 -100.05 110.91 23.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' GLU . 0.3 OUTLIER -35.98 133.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.9 mt -105.99 168.9 8.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.69 ' O ' HG21 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -123.55 143.99 49.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.813 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 96' ' ' LYS . 50.3 mt -60.99 125.45 23.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.611 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 97.22 3.91 58.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.686 ' O ' HG22 ' A' ' 94' ' ' VAL . 42.1 m-20 -87.19 131.63 34.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.788 0.328 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.445 ' HG2' ' CG1' ' A' ' 91' ' ' VAL . 18.2 ttt180 -80.51 130.86 35.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 139' ' ' ARG . 22.5 m -133.89 152.8 35.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 28.7 ttm -118.76 126.45 51.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.493 HG13 ' HB2' ' A' ' 135' ' ' LEU . 46.2 t -54.98 124.56 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.471 HG21 ' HE2' ' A' ' 138' ' ' LYS . 14.3 p -93.23 -33.33 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -156.86 145.51 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 1.0 HG22 ' HB3' ' A' ' 135' ' ' LEU . 74.2 t -128.36 137.02 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -119.57 -7.86 10.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 146.34 -100.82 0.23 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.505 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.505 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.2 OUTLIER -79.0 -1.2 34.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.941 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.433 ' HD2' ' C ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -131.24 163.21 28.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 1.0 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.3 OUTLIER -165.71 107.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.413 ' HB3' ' CG1' ' A' ' 128' ' ' VAL . 25.9 ttmt -54.39 141.26 31.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.709 HG11 HG11 ' A' ' 104' ' ' VAL . 28.2 m -120.78 141.23 42.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.471 ' HE2' HG21 ' A' ' 128' ' ' VAL . 45.8 mttm -117.15 125.59 51.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.42 ' HA ' HG12 ' A' ' 125' ' ' VAL . 3.1 tpp85 -58.76 122.06 12.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 30.5 pt -124.76 139.95 34.49 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.638 0.733 . . . . 0.0 111.084 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 167.46 24.38 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.291 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 175.29 8.33 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 2.273 . . . . 0.0 112.328 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -96.76 -30.65 13.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.418 ' H ' HD23 ' A' ' 144' ' ' LEU . 0.4 OUTLIER -44.08 -24.62 0.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.888 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.807 0.337 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -45.42 -42.18 10.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -131.14 141.04 50.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 t -101.16 125.21 47.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 77' ' ' ASP . 7.9 m -89.5 -45.22 9.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 76' ' ' THR . 37.4 m-20 -34.49 133.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.7 mt -61.08 -55.35 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 107.81 96.9 2.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -106.08 136.03 13.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.07 161.72 11.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -84.53 29.44 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.489 ' CD1' HD21 ' A' ' 133' ' ' LEU . 3.1 m-30 -113.4 97.52 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.9 t -100.21 -9.48 22.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.472 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 42.47 44.87 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -125.73 -12.66 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.666 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -43.3 -37.15 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -45.97 113.79 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.48 -34.99 5.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -74.96 155.67 37.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 125' ' ' VAL . 8.9 p -115.81 137.65 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -120.13 -166.04 13.08 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.51 125.03 39.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.75 HG22 ' O ' ' A' ' 123' ' ' ASP . 3.5 m -63.03 100.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.4 m -79.44 -26.76 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.589 ' HA ' HD21 ' A' ' 121' ' ' LEU . 27.0 tttp -167.52 154.34 8.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.566 HG23 ' CD2' ' A' ' 102' ' ' TYR . 4.3 mp -125.03 137.49 57.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -144.79 131.15 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.089 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -43.73 -52.54 6.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.85 -39.03 76.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.772 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 48.5 p-80 -169.42 152.79 4.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.5 m-85 -99.81 145.74 27.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 103' ' ' LEU . 3.4 mm? -102.81 103.49 13.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.526 HG11 HG11 ' A' ' 137' ' ' VAL . 1.4 t -111.75 127.53 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -90.12 106.1 18.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.544 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 48.0 t -107.65 114.64 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 62.11 31.78 17.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 76.89 33.01 47.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.442 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 37.2 m-20 -145.75 116.12 7.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -58.51 140.71 53.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.605 ' CZ2' HD11 ' A' ' 87' ' ' LEU . 91.6 m95 -130.47 179.25 6.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.57 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.0 mp -122.12 98.31 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -130.56 167.98 17.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.06 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.574 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.4 p90 -131.04 141.48 50.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.1 p -121.16 136.9 54.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -73.0 -20.62 60.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -116.68 111.36 19.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -39.21 101.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.0 mt -68.7 -178.52 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.01 135.04 47.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.589 HD21 ' HA ' ' A' ' 96' ' ' LYS . 13.7 mt -48.3 121.81 4.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.609 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 95.65 4.79 60.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.51 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.75 ' O ' HG22 ' A' ' 94' ' ' VAL . 37.8 m-20 -87.67 129.59 35.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -76.32 138.83 40.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.868 ' O ' HG23 ' A' ' 91' ' ' VAL . 33.7 m -144.4 147.54 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.6 ttp -112.39 144.52 41.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.7 t -66.53 95.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 138' ' ' LYS . 1.9 t -59.14 -37.47 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -170.42 168.73 7.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.576 HG21 HD12 ' A' ' 135' ' ' LEU . 1.4 p -167.25 119.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -88.9 -23.01 22.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.12 -98.71 0.15 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -101.52 -0.94 34.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 0.0 110.924 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.905 ' C ' HD13 ' A' ' 135' ' ' LEU . 15.6 mmtm -100.21 118.97 37.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.905 HD13 ' C ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -112.62 93.13 4.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.905 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.461 ' O ' HG23 ' A' ' 128' ' ' VAL . 15.1 mtpt -53.45 119.19 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.526 HG11 HG11 ' A' ' 104' ' ' VAL . 20.1 m -104.34 135.62 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.465 ' HB2' HG22 ' A' ' 128' ' ' VAL . 20.3 mtpt -133.16 138.52 46.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -50.68 128.49 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.786 HD11 HG21 ' A' ' 91' ' ' VAL . 5.5 pt -127.0 137.76 31.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.656 0.741 . . . . 0.0 111.149 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 147.0 62.11 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -174.46 0.92 Allowed 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.674 2.249 . . . . 0.0 112.373 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -123.5 33.84 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.3 pp -50.16 -27.27 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.954 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.452 ' HD3' ' N ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -91.1 -49.61 6.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -131.93 172.37 12.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.9 t -170.01 129.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.14 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.0 t -118.43 -21.76 7.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -94.9 129.6 41.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 79' ' ' GLY . 66.8 mt -84.18 -59.75 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 78' ' ' ILE . . . 35.62 61.41 0.72 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.529 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -107.24 106.4 2.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.47 -164.8 19.41 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -84.56 26.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -119.02 112.36 19.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 86' ' ' GLU . 9.8 t -123.71 -22.04 5.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.5 t80 58.58 42.45 20.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 87' ' ' LEU . 6.2 mm-40 -124.91 -24.64 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.643 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -34.49 -41.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HA ' ' CG1' ' A' ' 127' ' ' VAL . 7.7 ttpm? -45.75 134.93 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.82 -42.95 3.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -65.44 171.11 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.446 HG11 ' NH1' ' A' ' 124' ' ' ARG . 48.4 t -117.67 136.66 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.65 178.16 16.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.78 132.15 54.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.603 HG23 ' H ' ' A' ' 122' ' ' GLY . 15.3 m -71.88 95.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.4 HG23 ' HB3' ' A' ' 103' ' ' LEU . 13.4 m -72.08 -26.77 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.583 ' HA ' HD11 ' A' ' 121' ' ' LEU . 12.9 ttpp -163.67 162.03 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.851 HG23 ' CD2' ' A' ' 102' ' ' TYR . 49.5 mt -137.35 133.41 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -141.65 138.91 32.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.444 ' C ' ' OE1' ' A' ' 99' ' ' GLU . 1.8 tm-20 -49.33 -50.86 37.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -59.9 -38.19 81.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.666 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 55.7 p-80 -167.13 163.01 15.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.851 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -113.68 145.92 40.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.4 ' HB3' HG23 ' A' ' 95' ' ' VAL . 3.9 mm? -102.92 106.81 17.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.458 HG11 HG11 ' A' ' 137' ' ' VAL . 2.2 t -114.83 121.52 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -87.84 109.94 20.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.523 HG11 ' HB3' ' A' ' 87' ' ' LEU . 61.3 t -115.16 136.18 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 44.65 36.65 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.2 34.19 64.52 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -145.71 123.05 11.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.88 0.372 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -62.46 140.99 58.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.512 ' CE2' ' HG ' ' A' ' 87' ' ' LEU . 91.5 m95 -134.98 155.41 50.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.06 93.18 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.426 ' HB2' HD12 ' A' ' 135' ' ' LEU . . . -110.48 168.38 9.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.467 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.5 p90 -131.8 131.05 42.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.429 ' OG ' ' CE2' ' A' ' 102' ' ' TYR . 16.9 p -121.72 137.06 54.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.75 -15.05 58.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -116.58 111.11 19.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -40.45 105.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 97' ' ' ILE . 70.9 mt -74.71 -176.8 2.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.503 ' O ' HG21 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -127.57 139.91 52.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.583 HD11 ' HA ' ' A' ' 96' ' ' LYS . 4.0 mm? -56.19 119.25 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.603 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 97.62 5.88 57.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.593 ' O ' HG22 ' A' ' 94' ' ' VAL . 10.4 t0 -79.91 140.93 36.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.357 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.446 ' NH1' HG11 ' A' ' 91' ' ' VAL . 5.5 ttp85 -89.97 131.1 36.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.463 ' CG2' ' HB ' ' A' ' 137' ' ' VAL . 24.2 m -139.87 150.37 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 45.2 ttm -112.65 137.17 51.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 40.1 t -61.27 120.25 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' A' ' 136' ' ' LYS . 7.9 p -87.9 -35.39 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 128' ' ' VAL . 4.5 m-20 -175.3 146.08 0.8 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.536 HG12 ' HB3' ' A' ' 135' ' ' LEU . 0.8 OUTLIER -118.05 131.56 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.07 28.09 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 116.32 -80.88 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.3 tp -119.87 17.08 12.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -154.33 105.01 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.536 ' HB3' HG12 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -103.94 166.66 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.488 ' HB2' ' CG1' ' A' ' 128' ' ' VAL . 6.4 mtpm? -104.25 140.73 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 27.6 m -114.59 138.98 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -119.73 130.56 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -58.05 123.27 15.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 19.8 pt -124.01 139.89 33.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 148.88 66.34 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.272 . . . . 0.0 112.353 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 174.43 9.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -129.64 80.46 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.6 mt 43.18 27.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.806 0.336 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -89.14 -42.19 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -87.3 176.59 7.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.443 ' O ' HG22 ' A' ' 75' ' ' THR . 7.5 m 42.66 41.11 2.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.6 m -95.37 -51.47 4.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -66.01 126.78 29.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.5 mm -97.67 -46.57 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.14 101.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -159.99 116.53 0.72 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.56 -179.69 2.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.546 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.438 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -100.93 -23.17 14.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.739 0.304 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.677 ' CD1' ' N ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -97.72 93.86 6.62 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.933 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.4 t -117.65 -2.59 11.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.535 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.2 t80 54.25 43.37 30.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -122.71 -18.5 6.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.641 HD13 ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -38.57 -35.49 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -46.79 129.89 11.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.7 -36.71 2.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -66.42 156.88 33.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.611 HG21 HD11 ' A' ' 140' ' ' ILE . 8.0 p -113.76 138.73 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -126.88 -167.3 12.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.79 127.23 41.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.772 0.32 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.76 HG22 ' O ' ' A' ' 123' ' ' ASP . 3.4 m -66.13 124.5 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.864 HG21 ' CD ' ' A' ' 110' ' ' LYS . 26.3 m -96.48 -30.59 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.595 ' HA ' HD11 ' A' ' 121' ' ' LEU . 33.1 tttp -163.11 158.24 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.935 HG23 ' CD2' ' A' ' 102' ' ' TYR . 20.6 mt -127.76 138.77 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -150.01 130.34 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -42.05 -52.33 4.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -56.04 -38.83 71.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.599 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 38.0 p-80 -171.65 159.06 5.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.935 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -110.27 149.51 30.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.5 mt -107.66 110.87 22.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.523 HG21 HG11 ' A' ' 137' ' ' VAL . 1.2 t -117.5 128.98 74.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -88.25 111.98 22.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.48 HG11 ' HB3' ' A' ' 87' ' ' LEU . 65.7 t -116.46 115.0 47.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 63.58 26.46 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 85.92 27.35 31.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.469 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 27.8 m-20 -145.72 117.93 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.837 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.864 ' CD ' HG21 ' A' ' 95' ' ' VAL . 18.6 mtmt -64.36 141.91 58.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.469 ' CD1' ' O ' ' A' ' 109' ' ' ASP . 89.5 m95 -127.52 178.6 5.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 112' ' ' ILE . 3.1 mp -113.98 96.63 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -116.14 158.03 23.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.525 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.3 p90 -130.19 121.6 26.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.1 t -130.77 126.14 35.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -62.64 -25.43 68.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -83.24 116.3 22.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.73 101.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.4 ' C ' ' CD1' ' A' ' 97' ' ' ILE . 22.4 mt -76.29 -176.65 3.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.15 133.88 26.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.595 HD11 ' HA ' ' A' ' 96' ' ' LYS . 9.3 mp -47.37 119.97 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.604 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 102.33 1.86 50.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.487 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.76 ' O ' HG22 ' A' ' 94' ' ' VAL . 69.7 m-20 -84.23 126.31 33.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.752 0.311 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -75.39 124.09 26.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 139' ' ' ARG . 18.8 m -131.87 143.49 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 4.3 ttm -102.81 138.58 39.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.685 HG13 ' HB2' ' A' ' 135' ' ' LEU . 39.1 t -65.52 115.77 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.6 t -76.07 -43.63 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -163.15 162.53 25.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.885 HG22 ' HB3' ' A' ' 135' ' ' LEU . 79.6 t -125.77 120.04 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.12 28.17 7.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.538 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 122.71 -112.82 2.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.51 ' O ' ' CD1' ' A' ' 133' ' ' LEU . 0.1 OUTLIER -82.5 -1.9 51.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.03 178.62 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.885 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -173.63 127.89 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -63.93 160.92 16.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.523 HG11 HG21 ' A' ' 104' ' ' VAL . 30.1 m -144.65 138.78 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 140' ' ' ILE . 15.3 pttp -125.71 124.99 42.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.407 ' HA ' HG12 ' A' ' 125' ' ' VAL . 12.9 ttt180 -52.61 133.34 36.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.611 HD11 HG21 ' A' ' 91' ' ' VAL . 31.2 pt -126.73 143.12 45.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 147.1 62.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 177.12 5.9 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -119.51 76.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.6 mt 44.92 25.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.813 0.339 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -83.31 4.95 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -96.05 151.43 19.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.0 p -126.23 127.73 46.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 76' ' ' THR . 4.8 t -170.81 118.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -72.53 144.61 47.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.1 mt -95.68 -42.54 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.89 -77.35 0.31 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.56 150.15 17.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 179.72 128.94 1.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -100.38 17.2 22.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-30 -95.33 107.98 20.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.53 HG23 ' HG2' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -129.37 -6.89 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.124 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.549 ' CE1' ' O ' ' A' ' 130' ' ' VAL . 1.0 OUTLIER 42.56 47.11 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.53 ' HG2' HG23 ' A' ' 84' ' ' THR . 22.7 pt-20 -121.88 -28.91 4.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.696 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -32.36 -35.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.985 ' HB2' HG12 ' A' ' 130' ' ' VAL . 9.7 tttp -62.65 131.5 49.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.14 -26.84 17.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -86.61 170.43 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.478 HG22 ' HB2' ' A' ' 126' ' ' MET . 60.7 t -118.32 128.93 75.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -116.66 -172.2 16.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.88 126.87 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.886 0.374 . . . . 0.0 110.835 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.987 HG22 ' O ' ' A' ' 123' ' ' ASP . 6.6 m -68.51 116.55 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.441 ' CG2' ' HB3' ' A' ' 103' ' ' LEU . 18.9 m -92.57 -30.66 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.438 ' C ' HG13 ' A' ' 97' ' ' ILE . 14.0 mtpp -154.07 173.61 15.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.638 HG23 ' CD2' ' A' ' 102' ' ' TYR . 46.0 mt -145.81 132.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -143.34 133.31 24.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -46.14 -50.91 14.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.11 -36.45 79.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.805 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 49.3 p-80 -168.53 152.65 5.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.638 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -104.12 150.89 23.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.441 ' HB3' ' CG2' ' A' ' 95' ' ' VAL . 4.3 mm? -104.22 108.55 19.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.753 HG21 HG11 ' A' ' 137' ' ' VAL . 1.2 t -118.56 127.76 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -90.35 115.45 27.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.528 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 46.7 t -121.16 127.91 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 55.77 29.62 14.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.61 27.65 56.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.402 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 0.8 OUTLIER -145.67 119.93 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -59.61 144.84 46.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.604 ' HB3' HD21 ' A' ' 135' ' ' LEU . 86.8 m95 -133.15 176.45 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.424 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.9 mp -116.44 101.86 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.745 ' HB2' ' CD2' ' A' ' 135' ' ' LEU . . . -128.18 163.17 25.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.581 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 3.9 p90 -133.77 132.93 41.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.3 t -123.25 136.98 54.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -67.42 -23.65 65.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 9.3 pt-20 -104.03 113.96 27.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -47.98 107.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.404 ' O ' HD13 ' A' ' 97' ' ' ILE . 10.1 mt -78.45 -176.12 4.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.31 133.9 41.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.405 HD12 HD12 ' A' ' 97' ' ' ILE . 9.4 mp -51.02 126.01 15.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.558 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 100.67 -1.78 55.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.987 ' O ' HG22 ' A' ' 94' ' ' VAL . 2.4 t70 -88.55 139.24 30.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.0 ptt-85 -84.25 140.03 31.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 30.9 m -144.32 151.15 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.478 ' HB2' HG22 ' A' ' 91' ' ' VAL . 34.1 ttm -111.94 134.89 53.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.477 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 86.1 t -64.72 102.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.428 HG21 ' HG3' ' A' ' 138' ' ' LYS . 1.5 t -60.91 -36.55 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -171.25 154.6 4.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.985 HG12 ' HB2' ' A' ' 88' ' ' LYS . 7.7 p -156.53 127.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -109.56 -15.25 14.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -167.16 -93.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.7 mt -111.0 18.27 19.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -128.72 95.61 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.789 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -103.56 80.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 135' ' ' LEU . 17.7 mttm -37.11 126.34 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.753 HG11 HG21 ' A' ' 104' ' ' VAL . 33.3 m -113.99 129.29 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.428 ' HG3' HG21 ' A' ' 128' ' ' VAL . 39.3 mttp -122.15 138.81 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 -59.51 132.03 52.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 30.0 pt -126.14 148.78 64.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.593 0.711 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.68 18.35 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.38 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.18 5.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.357 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 145' ' ' GLU . 17.9 tm0? -86.27 -48.87 8.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 145' ' ' GLU . 3.3 pp -35.59 -31.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.537 ' N ' HD12 ' A' ' 144' ' ' LEU . 6.7 pt-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -45.81 -49.75 14.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 73' ' ' ARG . 15.6 pt-20 -35.07 130.9 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.5 p -87.44 44.58 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.4 m -89.64 50.13 1.85 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -115.67 162.37 17.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 78' ' ' ILE . 8.9 mt -111.53 36.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.2 124.88 11.55 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.28 123.97 6.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.457 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.24 137.12 5.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -93.2 41.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -117.88 98.64 6.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 86' ' ' GLU . 8.9 t -88.97 -28.51 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.403 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.0 OUTLIER 64.29 43.31 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 87' ' ' LEU . 20.0 mm-40 -127.72 -29.6 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.665 ' H ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -30.66 -40.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.931 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -47.46 97.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.54 -30.77 8.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.504 ' HE2' ' N ' ' A' ' 87' ' ' LEU . 46.7 mtmt -67.25 161.13 25.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.7 t -109.3 130.48 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.14 -160.59 12.82 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.27 148.88 50.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.762 HG11 ' O ' ' A' ' 120' ' ' SER . 2.2 t -88.43 112.47 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.502 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 17.4 m -98.24 -38.65 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.486 ' HD2' ' N ' ' A' ' 97' ' ' ILE . 1.6 tmmm? -154.81 154.31 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.614 HD11 ' CG1' ' A' ' 94' ' ' VAL . 4.2 mp -130.07 141.81 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -153.63 133.26 12.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -48.03 -45.87 32.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -63.47 -34.82 78.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.72 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 53.4 p-80 -173.17 151.96 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.559 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.1 m-85 -105.91 143.71 33.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.612 HD12 ' HD2' ' A' ' 110' ' ' LYS . 2.8 mm? -101.88 103.32 13.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.5 t -110.66 119.8 60.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.132 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -85.11 102.21 13.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.538 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 41.4 t -103.87 116.83 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 57.98 37.03 26.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.54 31.49 56.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 16.4 m-20 -145.79 112.58 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.391 . . . . 0.0 110.83 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.612 ' HD2' HD12 ' A' ' 103' ' ' LEU . 17.7 mtmt -60.46 137.77 58.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.538 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 93.1 m95 -124.95 171.37 10.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.3 mp -113.43 88.15 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -108.95 156.78 19.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.507 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 1.5 p90 -127.1 121.44 31.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 116' ' ' ASP . 33.2 m -135.92 107.65 7.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.803 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 115' ' ' SER . 1.1 m-20 -37.17 -33.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 115' ' ' SER . 45.4 mt-10 -77.72 114.72 16.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 99.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.3 173.09 6.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.762 ' O ' HG11 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -122.67 162.65 21.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 95' ' ' VAL . 3.6 mm? -62.04 125.5 24.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 89.59 3.31 74.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.508 ' O ' ' CG2' ' A' ' 94' ' ' VAL . 1.4 m-20 -86.46 100.01 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.402 ' C ' HG13 ' A' ' 125' ' ' VAL . 4.7 ptt-85 -60.14 159.9 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.425 HG21 HG21 ' A' ' 137' ' ' VAL . 33.4 m -157.31 145.55 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 35.7 ttp -107.24 128.84 54.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.581 HG13 ' HB2' ' A' ' 135' ' ' LEU . 46.4 t -59.41 124.38 13.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 136' ' ' LYS . 14.8 p -96.92 -32.46 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -148.88 143.18 26.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.847 HG22 ' HB3' ' A' ' 135' ' ' LEU . 70.8 t -128.4 122.51 57.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -115.81 23.61 12.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 113.15 -111.34 2.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 13.0 mt -82.38 19.26 1.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.853 0.358 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -153.65 115.73 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.847 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.3 OUTLIER -122.93 125.7 45.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 137' ' ' VAL . 9.3 tmtt? -72.33 137.28 46.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.474 ' N ' ' HD3' ' A' ' 136' ' ' LYS . 12.5 m -121.75 149.39 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -132.69 131.12 40.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.97 133.65 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.8 pt -126.04 142.96 43.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.6 0.714 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 169.86 17.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.352 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 171.71 13.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.346 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -130.53 81.45 2.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.6 mp 42.52 26.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.904 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 74' ' ' GLU . 4.1 ptp180 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.78 0.324 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' ARG . 12.7 ptm180 -37.27 -32.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ARG . 37.0 mp0 -62.36 170.17 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 75' ' ' THR . 5.0 t -125.04 116.95 22.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.8 t -174.2 115.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -115.57 109.8 18.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 79' ' ' GLY . 8.6 mt 51.85 37.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 78' ' ' ILE . . . -34.85 -81.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.61 68.01 0.23 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.494 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -131.27 145.42 16.98 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -98.44 39.66 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.731 ' CE1' HD21 ' A' ' 133' ' ' LEU . 3.8 m-30 -110.78 120.37 42.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 t -124.25 -12.72 7.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.492 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 2.1 t80 45.37 42.95 8.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -121.61 -25.13 5.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.689 HD13 ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -39.9 -34.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.95 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -41.75 106.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.98 -36.57 3.89 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' LEU . 72.2 mttt -57.77 156.59 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 75.3 t -105.29 134.99 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.7 176.35 17.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -119.75 138.47 53.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.613 HG23 ' H ' ' A' ' 122' ' ' GLY . 3.5 m -77.23 84.81 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.926 HG21 ' HE3' ' A' ' 110' ' ' LYS . 16.5 m -64.16 -18.61 23.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -173.13 152.29 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.56 HG23 ' CD2' ' A' ' 102' ' ' TYR . 5.1 mp -124.7 140.16 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -149.79 132.46 15.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -45.85 -50.17 14.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -36.49 76.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.704 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 42.9 p-80 -170.33 158.7 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.569 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.3 m-85 -107.69 151.38 25.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.443 ' HB3' HG23 ' A' ' 95' ' ' VAL . 14.6 mt -109.17 110.68 21.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.679 HG21 HG11 ' A' ' 137' ' ' VAL . 1.2 t -122.78 117.68 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.451 ' OE2' ' C ' ' A' ' 108' ' ' GLY . 8.1 tp10 -79.95 102.12 9.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.576 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 16.7 t -108.4 136.84 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 106' ' ' VAL . 7.3 pt-20 50.65 28.24 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.451 ' C ' ' OE2' ' A' ' 105' ' ' GLU . . . 79.64 29.76 46.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.431 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -146.21 128.76 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.926 ' HE3' HG21 ' A' ' 95' ' ' VAL . 34.7 mtpt -68.86 120.59 15.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.806 ' CE3' HD21 ' A' ' 135' ' ' LEU . 90.2 m95 -110.75 174.29 5.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.555 HD12 ' N ' ' A' ' 112' ' ' ILE . 3.1 mp -115.13 95.98 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.484 ' HB1' HG13 ' A' ' 137' ' ' VAL . . . -111.36 162.96 14.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.569 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.8 p90 -137.04 122.1 19.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.9 t -123.23 127.13 48.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -23.86 67.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.82 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -92.62 114.16 26.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.61 122.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.1 mt -97.31 160.22 14.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.965 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 123' ' ' ASP . 0.8 OUTLIER -119.77 134.12 55.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 7.5 mt -48.55 127.22 12.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.613 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 93.14 2.84 65.89 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.607 ' O ' HG22 ' A' ' 94' ' ' VAL . 20.2 m-20 -82.6 122.71 28.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -76.14 120.25 21.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 25.0 m -125.76 150.72 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 34.7 ttp -111.52 143.04 43.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.605 HG13 ' HB2' ' A' ' 135' ' ' LEU . 45.6 t -66.5 108.89 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.7 t -72.74 -39.42 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -175.84 141.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.585 HG12 ' HB3' ' A' ' 135' ' ' LEU . 0.9 OUTLIER -118.98 133.28 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -100.92 3.44 41.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 149.63 -76.12 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.731 HD21 ' CE1' ' A' ' 83' ' ' TYR . 11.7 mt -117.06 -3.07 11.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -120.26 97.58 5.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.806 HD21 ' CE3' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -92.46 118.78 31.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.894 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.0 169.73 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.679 HG11 HG21 ' A' ' 104' ' ' VAL . 33.3 m -150.75 132.79 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.14 128.91 52.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -61.4 116.03 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 45.5 pt -118.11 137.66 24.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 148.14 63.97 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 174.63 9.21 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.73 2.287 . . . . 0.0 112.305 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -82.85 -47.27 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.0 mp -78.16 45.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.604 HG23 ' HG2' ' A' ' 86' ' ' GLU . 1.8 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.82 0.343 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 40.73 49.34 2.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.604 ' HG2' HG23 ' A' ' 84' ' ' THR . 23.4 pt-20 -125.27 -24.39 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.669 ' N ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -39.27 -34.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.886 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.18 112.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.53 -30.55 10.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -72.56 160.98 31.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.7 t -105.67 129.9 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.17 165.33 14.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.9 140.87 43.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.347 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 123' ' ' ASP . 4.7 m -83.17 102.74 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.44 HG21 ' CG ' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -83.18 -20.68 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -166.09 149.5 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.918 HG23 ' CD2' ' A' ' 102' ' ' TYR . 5.3 mp -128.17 145.31 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -156.55 130.27 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.86 -53.72 3.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -55.41 -35.55 65.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.639 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 56.1 p-80 -174.78 152.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.918 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.1 m-85 -103.71 151.67 22.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.953 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' A' ' 110' ' ' LYS . 3.3 mm? -109.5 103.21 12.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.569 HG21 HG11 ' A' ' 137' ' ' VAL . 1.5 t -109.02 109.37 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -73.18 99.98 2.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.564 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 39.3 t -108.76 136.1 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 106' ' ' VAL . 3.8 pt-20 51.36 25.0 2.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.73 29.07 33.24 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -146.15 125.87 13.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.516 ' HB3' HD12 ' A' ' 103' ' ' LEU . 10.5 mtmm -71.57 116.15 11.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.564 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 91.4 m95 -100.43 179.03 4.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.55 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.1 mp -117.5 91.23 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -116.79 166.06 12.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.567 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -136.04 130.07 32.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t -119.93 132.4 55.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.18 -20.41 64.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.34 111.21 23.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -39.46 125.62 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.88 172.55 7.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.449 ' CB ' ' OD2' ' A' ' 123' ' ' ASP . 0.7 OUTLIER -123.89 137.78 54.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.5 mt -47.62 120.05 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.61 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 93.02 5.76 63.84 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.666 ' O ' HG22 ' A' ' 94' ' ' VAL . 63.5 m-20 -77.47 131.74 38.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.8 mtm-85 -79.4 132.18 36.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.475 ' CG2' ' HB ' ' A' ' 137' ' ' VAL . 9.3 m -141.0 143.47 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 36.6 ttp -109.05 133.69 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.506 HG13 ' HB2' ' A' ' 135' ' ' LEU . 86.4 t -67.75 114.85 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 136' ' ' LYS . 6.7 p -77.62 -35.95 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -163.25 156.26 18.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.609 HG22 ' HB3' ' A' ' 135' ' ' LEU . 18.9 t -125.83 122.83 62.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.22 44.51 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.05 -91.47 0.9 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.466 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 22.2 mt -103.15 3.55 35.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -124.67 141.56 52.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.609 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -136.8 108.54 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.53 ' O ' HG12 ' A' ' 128' ' ' VAL . 0.2 OUTLIER -59.73 126.13 26.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.569 HG11 HG21 ' A' ' 104' ' ' VAL . 35.3 m -109.01 143.7 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 140' ' ' ILE . 39.1 mtmt -131.24 117.63 19.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -46.9 135.11 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 138' ' ' LYS . 36.0 pt . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.799 0.333 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.545 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 3.0 t80 61.51 41.4 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 87' ' ' LEU . 57.4 mm-40 -124.45 -22.7 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.641 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -34.95 -36.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 86' ' ' GLU . 18.5 tttt -48.59 115.44 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.47 -32.19 6.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.508 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -66.93 155.66 37.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 125' ' ' VAL . 21.3 t -107.1 140.23 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.84 175.72 19.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -116.31 121.32 41.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 123' ' ' ASP . 4.5 m -63.51 106.76 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.707 HG21 ' CD ' ' A' ' 110' ' ' LYS . 19.6 m -81.82 -19.55 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.657 ' HA ' HD11 ' A' ' 121' ' ' LEU . 20.8 ttpt -173.02 163.19 4.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.701 HG23 ' CD2' ' A' ' 102' ' ' TYR . 21.2 mt -133.19 142.99 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -151.79 134.6 15.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -47.54 -50.3 24.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -60.14 -33.47 72.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.713 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 35.8 p-80 -174.18 159.29 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.701 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.3 m-85 -109.65 154.13 23.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -110.65 110.19 20.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.569 HG21 HG11 ' A' ' 137' ' ' VAL . 1.2 t -117.57 122.32 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -83.76 113.25 20.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.495 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 58.9 t -120.44 116.32 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 62.85 27.5 16.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.29 27.27 40.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 7.9 m-20 -145.58 114.53 6.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.707 ' CD ' HG21 ' A' ' 95' ' ' VAL . 14.8 mtmm -63.75 136.76 57.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.612 ' HB3' HD21 ' A' ' 135' ' ' LEU . 81.8 m95 -117.87 177.08 4.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.4 mp -116.53 93.06 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -121.34 164.85 16.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.576 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.0 p90 -135.2 126.98 29.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.1 t -123.13 128.58 50.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.05 -27.34 65.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -88.64 115.56 26.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -52.68 97.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 42.8 mt -66.96 -177.74 0.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.3 134.91 31.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.657 HD11 ' HA ' ' A' ' 96' ' ' LYS . 4.6 mm? -44.81 121.29 2.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.603 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 93.57 4.81 63.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.537 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.626 ' O ' HG22 ' A' ' 94' ' ' VAL . 41.7 m-20 -82.7 122.54 28.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -72.45 127.01 31.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.636 ' O ' HG13 ' A' ' 91' ' ' VAL . 34.7 m -131.37 164.58 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 51.0 ttm -130.31 142.84 50.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.583 HG13 ' HB2' ' A' ' 135' ' ' LEU . 38.3 t -75.81 103.57 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 136' ' ' LYS . 3.2 p -78.78 -16.29 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -175.28 152.68 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.2 p -164.2 134.31 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -128.74 50.5 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 133.93 -98.16 0.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 29.0 mt -115.48 -1.29 12.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -108.63 99.8 9.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.651 HD23 ' N ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -105.9 105.86 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.568 ' O ' HG12 ' A' ' 128' ' ' VAL . 32.5 mttt -57.97 114.93 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.569 HG11 HG21 ' A' ' 104' ' ' VAL . 27.5 m -102.73 150.16 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -139.24 134.24 32.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -57.97 122.76 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.0 pt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 111.139 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 85' ' ' PHE . 10.0 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.79 0.328 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.513 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.0 t80 37.18 41.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -123.21 -18.45 6.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.682 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -41.44 -40.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -46.66 120.64 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.29 -31.43 5.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -71.13 151.62 44.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.353 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 125' ' ' VAL . 6.6 p -109.31 137.77 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.78 -164.63 12.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -131.19 130.06 42.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 123' ' ' ASP . 2.8 m -65.43 103.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.519 HG21 ' HE2' ' A' ' 110' ' ' LYS . 34.7 m -77.01 -30.37 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.186 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.459 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 6.4 tttp -170.68 160.06 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.48 HG23 ' CD2' ' A' ' 102' ' ' TYR . 44.0 mt -124.21 148.79 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -142.03 156.83 45.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -63.41 -46.15 87.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.49 -36.07 82.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.734 ' CD2' HG22 ' A' ' 112' ' ' ILE . 3.1 t60 -169.05 -175.56 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.513 ' N ' ' CD1' ' A' ' 102' ' ' TYR . 0.9 OUTLIER -118.13 152.89 34.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.631 HD12 ' HD3' ' A' ' 110' ' ' LYS . 3.2 mm? -106.58 116.35 31.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.542 HG21 ' HB3' ' A' ' 113' ' ' ALA . 1.1 t -121.1 121.89 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.499 ' HB2' HG11 ' A' ' 95' ' ' VAL . 10.5 tt0 -87.68 106.72 18.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.56 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 41.3 t -109.77 119.39 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 62.27 30.93 17.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.03 30.13 48.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -145.72 123.99 12.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.631 ' HD3' HD12 ' A' ' 103' ' ' LEU . 60.9 mttt -62.24 142.85 57.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.56 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 90.7 m95 -134.31 172.04 13.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.734 HG22 ' CD2' ' A' ' 101' ' ' HIS . 4.5 mp -109.5 100.08 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.607 ' O ' ' CD2' ' A' ' 101' ' ' HIS . . . -122.5 153.66 38.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.561 ' HB3' ' CE1' ' A' ' 101' ' ' HIS . 0.6 OUTLIER -119.74 129.12 54.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 p -117.86 134.41 54.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -75.11 -18.83 60.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 118' ' ' LYS . 30.3 mt-10 -117.37 111.57 19.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 117' ' ' GLU . 9.0 ptpp? -37.67 105.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.0 mt -74.36 173.31 10.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.414 ' CB ' ' OD2' ' A' ' 123' ' ' ASP . 0.7 OUTLIER -123.26 135.16 54.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 34.3 mt -47.41 120.73 3.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.607 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 97.97 3.69 57.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.544 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.778 ' O ' HG22 ' A' ' 94' ' ' VAL . 78.2 m-20 -84.18 133.31 34.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -82.37 136.12 35.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 139' ' ' ARG . 29.8 m -141.92 144.81 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 31.1 ttp -109.13 134.39 51.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.567 ' CG2' HD12 ' A' ' 135' ' ' LEU . 70.2 t -66.43 121.66 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.5 p -84.9 -35.53 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -162.94 145.69 10.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 1.013 HG22 ' HB3' ' A' ' 135' ' ' LEU . 75.7 t -111.6 118.36 57.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.49 48.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.415 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 97.91 -109.06 3.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -87.57 6.84 32.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -132.25 149.14 52.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 1.013 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -142.77 112.97 7.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -60.62 132.22 53.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 26.8 m -118.24 137.64 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -124.16 122.44 37.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.652 ' HA ' HG12 ' A' ' 125' ' ' VAL . 3.6 ttm-85 -45.93 135.93 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.472 HD11 HG21 ' A' ' 91' ' ' VAL . 31.6 pt . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.731 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.831 0.348 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.53 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.0 t80 59.22 43.78 16.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 88' ' ' LYS . 20.5 mt-10 -125.17 -26.52 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.664 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -32.9 -35.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 86' ' ' GLU . 12.5 tptp -41.48 109.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.94 -37.22 3.7 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -62.52 154.47 28.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.461 HG13 HD11 ' A' ' 140' ' ' ILE . 84.1 t -100.13 135.65 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.98 160.19 13.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.535 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.24 133.91 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.71 HG21 ' HB3' ' A' ' 123' ' ' ASP . 92.9 t -72.28 95.99 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 96' ' ' LYS . 19.6 m -78.31 -42.62 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.482 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 22.6 tttp -156.22 170.33 22.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.754 HG23 ' CD2' ' A' ' 102' ' ' TYR . 18.5 mt -142.0 135.91 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -139.19 146.3 40.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -57.3 -47.76 80.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.68 -32.91 74.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.797 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 9.6 p-80 -170.02 163.9 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.754 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.3 m-85 -110.61 152.46 26.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 96' ' ' LYS . 27.4 mt -108.22 115.34 29.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -122.15 136.4 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -100.98 103.25 14.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.554 HG11 ' HB3' ' A' ' 87' ' ' LEU . 45.6 t -108.83 129.94 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 49.48 31.83 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.16 34.19 42.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.442 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -141.57 136.38 31.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -82.2 123.33 28.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.472 ' HB3' ' CD1' ' A' ' 135' ' ' LEU . 93.7 m95 -117.97 174.5 6.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.6 mp -116.14 94.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -110.63 163.14 14.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.534 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.7 p90 -137.49 121.47 17.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.8 m -131.87 110.77 11.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -45.72 -32.0 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.42 112.5 10.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -51.53 111.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.464 HD13 HG11 ' A' ' 125' ' ' VAL . 53.6 mt -87.45 -175.77 5.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.952 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.434 ' O ' HG11 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -142.59 151.78 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 30.6 mt -59.62 136.62 58.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.35 1.9 88.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.71 ' HB3' HG21 ' A' ' 94' ' ' VAL . 25.8 t0 -74.89 175.34 8.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -121.18 131.46 54.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.464 HG11 HD13 ' A' ' 119' ' ' LEU . 21.9 m -140.71 134.39 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.46 ' HB2' HG22 ' A' ' 91' ' ' VAL . 25.4 ttm -103.53 149.6 24.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.436 ' N ' ' HG2' ' A' ' 126' ' ' MET . 69.9 t -82.07 122.34 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.712 HG12 ' O ' ' A' ' 136' ' ' LYS . 14.6 p -98.48 -27.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -157.42 146.01 19.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.685 HG22 HD23 ' A' ' 135' ' ' LEU . 43.1 t -127.41 121.02 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -108.56 25.63 11.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.415 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 118.04 -102.55 0.98 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.43 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.6 tp -86.12 -10.43 54.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.883 0.373 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -115.63 138.89 50.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.685 HD23 HG22 ' A' ' 130' ' ' VAL . 0.2 OUTLIER -131.52 105.78 7.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.712 ' O ' HG12 ' A' ' 128' ' ' VAL . 7.6 tmtm? -55.87 108.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 135' ' ' LEU . 6.2 m -104.26 149.5 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -123.69 152.43 42.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -67.38 119.28 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.461 HD11 HG13 ' A' ' 91' ' ' VAL . 12.2 pt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.782 0.325 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.512 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.3 t80 47.18 40.74 10.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 87' ' ' LEU . 22.2 mt-10 -123.89 -26.14 4.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.704 HD21 ' CZ2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -35.96 -34.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -50.06 98.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.22 -29.81 7.13 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.533 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -73.55 167.48 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 125' ' ' VAL . 66.2 t -106.96 138.4 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.38 157.48 18.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -103.03 121.26 42.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 123' ' ' ASP . 4.5 m -65.85 88.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.2 m -66.81 -32.5 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.473 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 41.5 tttt -155.57 165.92 35.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.675 HG23 ' CD2' ' A' ' 102' ' ' TYR . 21.2 mt -137.9 137.62 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -146.15 134.6 21.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -44.6 -52.99 7.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.7 -39.99 74.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.631 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 40.3 p-80 -168.44 162.35 12.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.675 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.0 OUTLIER -108.97 143.87 37.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.11 109.31 22.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.439 HG21 ' HB3' ' A' ' 113' ' ' ALA . 1.2 t -116.96 129.16 73.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -94.82 105.31 17.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.459 HG11 ' HB3' ' A' ' 87' ' ' LEU . 23.2 t -110.71 125.02 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 57.65 30.05 18.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.53 27.35 57.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.454 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -141.49 127.92 20.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -65.64 142.55 58.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.704 ' CZ2' HD21 ' A' ' 87' ' ' LEU . 89.2 m95 -133.95 172.78 12.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 112' ' ' ILE . 5.1 mp -114.8 93.56 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -112.18 150.39 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.482 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 1.7 p90 -122.13 121.7 37.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.0 m -127.61 107.66 10.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -54.36 -28.89 46.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -81.09 111.03 17.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.4 113.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 76.1 mt -91.92 163.14 14.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.48 134.74 54.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.473 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 10.3 mt -53.56 121.6 8.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.588 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 96.57 5.5 58.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.531 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.646 ' O ' HG22 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -80.35 146.26 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.861 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.469 ' HG2' HG11 ' A' ' 91' ' ' VAL . 19.6 ttt180 -92.91 120.08 32.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.737 ' O ' HG13 ' A' ' 91' ' ' VAL . 15.8 m -124.6 160.85 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 43.3 ttm -125.58 131.21 52.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.72 HG13 ' HB2' ' A' ' 135' ' ' LEU . 59.5 t -67.0 126.87 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.73 -32.59 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -146.81 144.97 29.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.794 HG22 ' HB3' ' A' ' 135' ' ' LEU . 11.9 t -133.63 119.23 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -103.63 28.6 6.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.497 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 110.69 -107.73 2.29 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.461 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.2 tp -83.22 20.16 1.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.928 0.394 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.688 ' C ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -159.66 138.39 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.877 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -142.32 148.02 37.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 137' ' ' VAL . 9.6 tmtt? -84.79 140.29 31.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.467 ' N ' ' HD3' ' A' ' 136' ' ' LYS . 17.1 m -121.29 145.21 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -115.38 129.43 56.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -59.56 121.18 10.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 46.9 pt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 111.14 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.842 0.353 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.516 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.7 t80 49.89 42.86 24.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 87' ' ' LEU . 10.4 mm-40 -124.91 -24.61 4.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.651 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -34.42 -41.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.402 ' HA ' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -45.85 114.74 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.85 -33.95 6.17 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -72.43 168.07 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 125' ' ' VAL . 44.0 t -112.01 138.62 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.4 171.22 16.57 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HD2' ' C ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -117.28 126.68 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.326 . . . . 0.0 110.953 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.768 HG22 ' O ' ' A' ' 123' ' ' ASP . 4.2 m -68.18 102.22 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.4 m -81.86 -24.22 9.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.861 ' HA ' HD21 ' A' ' 121' ' ' LEU . 27.2 tttp -166.63 152.35 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.475 HG23 ' CD2' ' A' ' 102' ' ' TYR . 4.6 mp -123.99 138.66 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.794 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -144.65 133.1 21.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -46.22 -50.24 16.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -60.89 -38.01 84.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.794 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 32.4 p-80 -168.51 156.76 8.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.58 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.2 m-85 -102.47 149.44 24.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.588 HD12 ' HB3' ' A' ' 96' ' ' LYS . 18.0 mt -104.0 102.89 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -112.12 118.65 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -85.76 111.89 20.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 62.3 t -113.26 132.69 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 45.03 32.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.16 32.69 47.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.445 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 3.0 m-20 -145.65 117.61 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -64.25 141.66 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.718 ' CG ' HD11 ' A' ' 135' ' ' LEU . 95.7 m95 -131.13 173.44 11.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.952 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.483 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.4 mp -114.08 93.14 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -124.16 163.59 21.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.58 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 5.2 p90 -138.19 135.32 35.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.5 m -130.63 114.38 15.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.24 -27.82 1.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -79.76 116.8 20.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -53.34 98.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.9 mt -77.81 168.37 20.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 m -128.44 140.16 51.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.861 HD21 ' HA ' ' A' ' 96' ' ' LYS . 16.7 mt -53.0 120.73 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.596 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 98.79 7.32 55.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.768 ' O ' HG22 ' A' ' 94' ' ' VAL . 1.0 OUTLIER -91.29 134.88 34.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 110.864 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -80.61 141.95 34.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 91' ' ' VAL . 31.9 m -145.96 154.96 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 33.0 ttm -121.85 143.46 49.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.402 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 61.6 t -76.21 117.56 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 136' ' ' LYS . 8.6 p -93.57 -26.44 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -156.58 162.32 39.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.668 HG12 ' H ' ' A' ' 132' ' ' GLY . 79.3 t -144.87 144.89 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -127.64 19.49 6.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.668 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 120.87 -81.76 0.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.44 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.8 tp -101.95 -6.9 22.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.921 0.391 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.44 145.58 37.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.718 HD11 ' CG ' ' A' ' 111' ' ' TRP . 0.3 OUTLIER -135.01 91.51 2.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.563 ' O ' HG12 ' A' ' 128' ' ' VAL . 16.4 tttp -53.04 103.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 135' ' ' LEU . 16.4 m -101.0 155.22 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.123 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -138.03 145.8 42.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.431 ' NH1' ' O ' ' A' ' 140' ' ' ILE . 26.0 tpt85 -57.99 127.08 30.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.431 ' O ' ' NH1' ' A' ' 139' ' ' ARG . 36.6 pt . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.628 0.728 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.528 HG23 ' H ' ' A' ' 86' ' ' GLU . 9.4 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.823 0.344 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.513 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.2 t80 59.94 38.73 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.528 ' H ' HG23 ' A' ' 84' ' ' THR . 25.4 mm-40 -124.34 -15.74 6.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.651 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -37.22 -35.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.98 109.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.03 -36.96 3.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -61.81 158.14 16.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.652 HG22 ' HB2' ' A' ' 126' ' ' MET . 86.9 t -111.59 129.06 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.3 -162.32 13.5 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -140.72 120.52 13.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.518 HG23 ' H ' ' A' ' 122' ' ' GLY . 9.0 m -58.76 118.99 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 96' ' ' LYS . 33.8 m -98.66 -43.06 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.533 ' HB3' HD12 ' A' ' 103' ' ' LEU . 9.1 ttpt -146.59 155.16 42.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.504 HG23 ' CD2' ' A' ' 102' ' ' TYR . 19.6 mt -124.42 146.94 29.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -159.25 130.98 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.61 -48.61 10.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.92 -36.71 77.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.64 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 56.8 p-80 -173.05 160.62 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.0 OUTLIER -109.46 145.91 35.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 96' ' ' LYS . 26.9 mt -101.23 118.36 36.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.647 HG21 HG11 ' A' ' 137' ' ' VAL . 1.3 t -126.02 120.42 56.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -85.77 106.57 17.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.551 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 38.6 t -105.12 131.22 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 43.6 37.8 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.98 33.47 57.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.525 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 3.8 m-20 -145.92 117.36 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -57.94 147.0 30.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.643 ' CZ2' HD11 ' A' ' 87' ' ' LEU . 96.7 m95 -141.33 174.24 10.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.489 HD12 ' CD2' ' A' ' 101' ' ' HIS . 44.4 mm -118.94 100.01 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.453 ' CB ' HG13 ' A' ' 137' ' ' VAL . . . -120.26 158.68 26.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.568 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.1 p90 -131.18 126.09 34.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.8 t -119.96 131.95 55.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -66.82 -25.09 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 118' ' ' LYS . 12.4 pt-20 -101.71 114.27 28.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 117' ' ' GLU . 39.6 mtmt -37.1 113.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.2 mt -81.85 -175.17 5.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.448 ' O ' HG21 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -124.51 -174.81 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.419 HD22 ' O ' ' A' ' 95' ' ' VAL . 78.3 mt -108.59 119.59 39.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.518 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 93.23 -1.07 69.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.553 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.472 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 4.6 t70 -73.79 165.91 24.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -104.47 125.33 50.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.2 m -131.92 159.16 43.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.652 ' HB2' HG22 ' A' ' 91' ' ' VAL . 35.0 ttm -126.87 145.26 50.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.606 HG13 ' HB2' ' A' ' 135' ' ' LEU . 59.4 t -69.2 109.39 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.62 HG21 ' HE3' ' A' ' 138' ' ' LYS . 13.2 p -77.81 -36.66 22.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -160.54 142.47 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.477 HG22 ' H ' ' A' ' 132' ' ' GLY . 7.9 p -149.46 137.58 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -124.8 11.07 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.477 ' H ' HG22 ' A' ' 130' ' ' VAL . . . 168.22 -96.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.753 ' O ' HD23 ' A' ' 133' ' ' LEU . 1.9 tt -108.75 3.95 23.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -116.24 100.46 7.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.815 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -107.15 79.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 135' ' ' LEU . 47.5 tttm -33.48 126.28 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.647 HG11 HG21 ' A' ' 104' ' ' VAL . 35.0 m -106.61 141.59 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.62 ' HE3' HG21 ' A' ' 128' ' ' VAL . 4.2 mtmp? -128.66 141.41 51.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -63.82 118.82 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 18.4 pt . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.642 0.734 . . . . 0.0 111.127 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.558 HG23 ' H ' ' A' ' 86' ' ' GLU . 11.2 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.801 0.334 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.527 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 3.2 t80 50.02 46.25 24.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.558 ' H ' HG23 ' A' ' 84' ' ' THR . 52.0 mt-10 -124.97 -22.46 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.636 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -33.8 -38.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 86' ' ' GLU . 8.4 tptm -43.32 106.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.52 -36.04 4.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.67 151.72 41.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.468 HG21 HD11 ' A' ' 140' ' ' ILE . 9.5 p -108.66 138.5 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.11 178.49 17.5 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -114.02 132.5 55.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 123' ' ' ASP . 3.1 m -69.88 93.56 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.99 -37.57 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.602 ' HB3' HD12 ' A' ' 103' ' ' LEU . 19.8 tttm -153.37 151.13 29.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.622 HG23 ' CD2' ' A' ' 102' ' ' TYR . 21.9 mt -123.52 140.08 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -151.37 131.73 13.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -44.26 -50.98 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.66 -37.88 76.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.652 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 38.0 p-80 -169.16 157.39 7.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.622 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -109.42 141.58 41.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.602 HD12 ' HB3' ' A' ' 96' ' ' LYS . 37.0 mt -99.39 106.32 18.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.535 HG21 HG11 ' A' ' 137' ' ' VAL . 1.5 t -114.6 120.29 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.41 117.1 22.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.517 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 46.2 t -126.26 127.33 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 53.03 37.92 25.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.73 29.27 71.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.41 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 2.5 m-20 -144.11 113.8 7.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -59.91 138.38 57.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.558 ' CE3' HD21 ' A' ' 135' ' ' LEU . 91.9 m95 -126.01 170.58 11.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.415 HG23 ' HB2' ' A' ' 101' ' ' HIS . 18.4 mt -115.22 94.74 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -111.18 161.33 16.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.518 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.2 p90 -131.46 121.63 24.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.967 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.7 t -125.74 119.97 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -59.59 -23.48 62.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -86.88 114.74 23.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -50.19 101.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.4 mt -78.28 178.36 7.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.79 136.31 47.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 17.6 mt -48.53 120.35 3.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.585 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 96.59 4.81 59.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.693 ' O ' HG22 ' A' ' 94' ' ' VAL . 48.0 m-20 -79.61 133.43 36.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -78.88 124.26 28.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.527 HG12 ' HA ' ' A' ' 139' ' ' ARG . 21.2 m -133.47 142.2 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 36.3 ttp -109.34 142.2 40.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.613 HG13 ' HB2' ' A' ' 135' ' ' LEU . 40.8 t -67.45 118.07 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.432 ' CG1' ' HB2' ' A' ' 136' ' ' LYS . 14.6 p -89.21 -20.87 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -172.67 149.44 2.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.545 HG12 ' H ' ' A' ' 132' ' ' GLY . 62.6 t -122.74 136.99 57.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.9 23.33 6.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.545 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 106.51 -100.14 1.58 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.1 mt -91.4 29.32 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 110.93 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.421 ' C ' HD23 ' A' ' 135' ' ' LEU . 8.5 pttm -169.21 135.41 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.613 ' HB2' HG13 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -140.32 131.47 26.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.432 ' HB2' ' CG1' ' A' ' 128' ' ' VAL . 23.6 mtpp -69.61 133.0 47.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.535 HG11 HG21 ' A' ' 104' ' ' VAL . 35.2 m -118.57 129.43 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -107.93 132.5 53.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.527 ' HA ' HG12 ' A' ' 125' ' ' VAL . 3.3 tpp85 -60.14 122.15 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.468 HD11 HG21 ' A' ' 91' ' ' VAL . 30.6 pt . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.633 0.73 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.473 HG23 ' H ' ' A' ' 86' ' ' GLU . 9.0 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.843 0.354 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.457 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 56.02 40.43 30.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.473 ' H ' HG23 ' A' ' 84' ' ' THR . 79.7 mm-40 -126.16 -24.96 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.766 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -32.44 -40.36 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -44.4 113.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.15 -35.25 5.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.495 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.3 150.12 43.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.567 HG21 HD11 ' A' ' 140' ' ' ILE . 12.1 p -99.91 138.09 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.98 175.37 16.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -117.3 123.05 45.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.937 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.813 HG22 ' O ' ' A' ' 123' ' ' ASP . 3.3 m -63.92 117.28 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.844 HG23 HD13 ' A' ' 103' ' ' LEU . 27.9 m -101.04 -14.21 8.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.494 ' HA ' HD21 ' A' ' 121' ' ' LEU . 21.4 tptm -163.64 161.98 23.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.553 HG23 ' CZ ' ' A' ' 102' ' ' TYR . 5.3 mp -143.01 138.26 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -150.39 129.5 12.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' ALA . 9.0 tt0 -38.18 -56.72 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -54.66 -42.35 71.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.719 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 10.1 p-80 -168.09 145.92 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.553 ' CZ ' HG23 ' A' ' 97' ' ' ILE . 4.6 m-30 -96.46 163.73 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.844 HD13 HG23 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -116.39 111.63 20.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.503 HG21 HG11 ' A' ' 137' ' ' VAL . 0.5 OUTLIER -119.96 123.58 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -84.34 128.93 34.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.563 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 43.1 t -126.67 131.48 71.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 39.05 41.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.59 32.04 62.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.599 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 64.9 m-20 -142.79 111.72 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.57 ' HD3' HD11 ' A' ' 103' ' ' LEU . 26.4 mttm -57.51 142.54 43.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 109' ' ' ASP . 99.6 m95 -140.07 149.8 43.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.541 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.1 mp -99.14 98.52 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -115.69 166.33 12.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.037 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.464 ' N ' ' CD1' ' A' ' 114' ' ' TYR . 1.5 p90 -139.44 125.22 19.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -126.39 126.6 44.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -53.46 -24.31 12.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 6.6 pt-20 -95.09 115.54 27.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -56.67 117.74 4.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.9 mt -91.64 -176.57 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.93 138.42 46.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.494 HD21 ' HA ' ' A' ' 96' ' ' LYS . 59.4 mt -44.17 117.36 1.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.57 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 100.11 0.29 56.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.813 ' O ' HG22 ' A' ' 94' ' ' VAL . 34.8 m-20 -75.59 132.32 40.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.77 0.319 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 40.7 mtm-85 -81.38 134.57 35.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 139' ' ' ARG . 28.2 m -142.37 146.31 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 14.0 ttm -106.22 131.42 53.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.665 HG13 ' HB2' ' A' ' 135' ' ' LEU . 59.8 t -60.17 108.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.3 -38.96 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -167.15 150.59 6.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.904 HG22 ' HB3' ' A' ' 135' ' ' LEU . 97.8 t -122.59 135.56 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -121.58 -11.82 8.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 157.56 -100.01 0.19 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.16 17.65 19.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -153.71 106.04 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.904 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -110.91 136.99 49.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -67.53 148.68 51.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.503 HG11 HG21 ' A' ' 104' ' ' VAL . 20.1 m -136.82 133.85 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -124.52 125.26 43.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.59 ' HA ' HG12 ' A' ' 125' ' ' VAL . 14.6 ttt180 -50.81 135.3 24.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.567 HD11 HG21 ' A' ' 91' ' ' VAL . 30.5 pt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.631 0.729 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.494 HG23 ' H ' ' A' ' 86' ' ' GLU . 10.1 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.853 0.359 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.5 t80 51.73 39.19 24.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.494 ' H ' HG23 ' A' ' 84' ' ' THR . 44.2 mt-10 -123.64 -20.28 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.688 HD11 ' CZ2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -33.93 -39.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.933 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HA ' ' CG1' ' A' ' 127' ' ' VAL . 5.8 ttpm? -48.28 133.68 15.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.32 -31.0 2.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -75.53 158.55 32.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 125' ' ' VAL . 7.7 p -111.17 136.93 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.24 -178.37 15.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -122.87 115.95 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.508 HG23 ' H ' ' A' ' 122' ' ' GLY . 14.6 m -57.45 114.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.7 m -87.69 -29.99 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.472 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 22.3 tttt -162.83 155.53 19.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.552 HG23 ' CD2' ' A' ' 102' ' ' TYR . 5.1 mp -125.26 143.77 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -141.95 152.83 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -63.86 -42.19 97.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -71.99 -31.65 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.632 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 54.1 p-80 -168.02 176.93 5.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.552 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.6 m-85 -120.09 143.49 48.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -101.22 106.88 18.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.7 t -113.1 153.5 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -118.23 115.04 23.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.52 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 63.2 t -120.14 123.33 70.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 48.72 36.88 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.6 37.93 57.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.446 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 27.4 m-20 -145.68 117.56 8.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -63.37 135.95 57.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.688 ' CZ2' HD11 ' A' ' 87' ' ' LEU . 99.4 m95 -131.07 146.43 52.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.499 HD12 ' CD2' ' A' ' 101' ' ' HIS . 41.4 mm -93.22 91.82 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.183 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -109.58 165.73 11.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.465 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.1 p90 -143.08 121.62 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 72.5 m -134.25 144.66 48.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -85.0 -17.9 36.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.23 118.85 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -49.14 97.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.412 HD12 ' HD2' ' A' ' 102' ' ' TYR . 72.5 mt -82.23 172.94 12.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.35 134.5 36.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.472 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 24.8 mt -48.37 118.94 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.508 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 89.46 11.95 63.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.495 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 15.7 t0 -82.62 149.59 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -88.15 130.05 35.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 91' ' ' VAL . 32.7 m -140.66 147.83 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 29.4 ttm -113.0 129.62 56.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 68.9 t -62.7 127.0 22.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 136' ' ' LYS . 5.9 p -91.3 -30.66 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -164.53 155.89 15.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.804 HG22 ' HB3' ' A' ' 135' ' ' LEU . 64.5 t -130.89 111.8 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -95.59 23.15 6.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.567 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 116.6 -97.73 0.77 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.48 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.9 mp -96.54 9.8 40.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -141.19 119.33 12.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.804 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -122.37 128.45 50.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.459 ' O ' HG12 ' A' ' 128' ' ' VAL . 77.6 mttt -74.25 137.34 42.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.7 m -114.24 140.15 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.581 ' O ' HG23 ' A' ' 140' ' ' ILE . 5.5 mtmp? -122.62 118.16 27.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -44.55 130.51 6.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 138' ' ' LYS . 49.6 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.666 0.746 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.813 0.34 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.1 t80 55.11 44.16 28.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 87' ' ' LEU . 75.1 mt-10 -125.88 -26.31 3.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.665 ' H ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -32.79 -41.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.483 ' CE ' ' HA ' ' A' ' 129' ' ' ASP . 5.7 tppt? -43.74 103.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.22 -34.84 5.44 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -63.93 143.53 57.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.1 t -100.92 132.75 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -126.34 -160.19 10.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.533 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -131.32 151.27 51.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.967 HG22 ' O ' ' A' ' 123' ' ' ASP . 15.6 m -87.29 99.64 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.185 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.754 HG21 ' CD ' ' A' ' 110' ' ' LYS . 23.2 m -76.78 -18.71 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 27.1 tptt -173.95 153.04 2.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.961 HG23 ' CD2' ' A' ' 102' ' ' TYR . 17.9 mt -129.38 140.26 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -157.36 130.77 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -44.29 -48.93 9.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -58.25 -35.74 72.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.555 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 40.0 p-80 -174.4 154.49 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.961 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -113.63 142.36 46.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.439 ' HB3' ' CG2' ' A' ' 95' ' ' VAL . 4.4 mm? -102.62 109.26 20.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.463 HG21 HG11 ' A' ' 137' ' ' VAL . 1.4 t -114.84 115.61 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -75.37 104.99 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.498 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 26.3 t -115.15 121.67 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 58.19 31.7 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.53 27.72 56.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.4 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 29.1 m-20 -145.04 115.7 7.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.754 ' CD ' HG21 ' A' ' 95' ' ' VAL . 25.3 mtmm -68.06 119.74 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.554 ' HB3' HD21 ' A' ' 135' ' ' LEU . 85.6 m95 -103.64 171.54 7.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.5 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.4 mp -111.23 92.68 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -117.17 166.41 12.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.573 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 0.2 OUTLIER -133.16 131.81 40.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.4 m -131.35 107.95 9.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -48.57 -26.21 2.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -85.15 114.02 21.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -48.06 115.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.4 mt -90.48 171.68 9.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.606 ' O ' HG21 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -118.02 135.01 54.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 62.6 mt -56.51 126.29 25.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.622 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 92.31 -0.04 71.11 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.967 ' O ' HG22 ' A' ' 94' ' ' VAL . 10.5 t70 -84.67 146.63 27.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.347 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.06 154.5 18.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.48 ' CG2' ' HB ' ' A' ' 137' ' ' VAL . 34.6 m -154.01 157.17 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ttp -113.0 138.29 50.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.669 HG13 ' HB2' ' A' ' 135' ' ' LEU . 69.9 t -73.29 105.33 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.56 HG21 ' HG3' ' A' ' 138' ' ' LYS . 3.2 t -67.21 -41.68 87.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.483 ' HA ' ' CE ' ' A' ' 88' ' ' LYS . 35.5 t0 -159.46 149.22 18.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.9 HG22 ' HB3' ' A' ' 135' ' ' LEU . 99.1 t -120.13 116.5 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -105.12 45.49 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 106.59 -113.3 4.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.436 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.26 1.71 43.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.743 ' C ' HD23 ' A' ' 135' ' ' LEU . 10.2 mmtp -119.46 161.85 19.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.9 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -160.13 107.74 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -58.37 129.2 40.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.48 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 26.9 m -114.96 135.46 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.56 ' HG3' HG21 ' A' ' 128' ' ' VAL . 19.0 mttm -114.41 133.49 55.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.42 ' HA ' HG12 ' A' ' 125' ' ' VAL . 15.9 tpt85 -62.03 122.81 16.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 34.0 pt . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 111.175 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.829 0.347 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.504 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.8 t80 50.67 41.31 25.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.48 ' O ' ' C ' ' A' ' 87' ' ' LEU . 7.2 mm-40 -126.12 -22.98 3.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.688 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -31.42 -44.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -58.62 95.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.02 -31.22 3.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.497 ' HD2' ' CG1' ' A' ' 106' ' ' VAL . 0.5 OUTLIER -90.22 158.89 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.958 HG21 HD11 ' A' ' 140' ' ' ILE . 5.7 p -110.91 139.1 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -126.37 -166.28 12.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -126.09 135.97 52.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.653 HG21 ' HB2' ' A' ' 123' ' ' ASP . 1.3 m -74.79 118.14 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.545 HG21 ' HE3' ' A' ' 110' ' ' LYS . 27.1 m -86.16 -30.54 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.489 ' HA ' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -164.37 153.44 13.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.649 HG23 ' CD2' ' A' ' 102' ' ' TYR . 3.9 mp -124.32 143.93 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -148.61 137.3 21.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -47.72 -51.3 22.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.63 -38.58 81.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.693 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 48.4 p-80 -167.68 163.04 14.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.649 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -109.43 147.24 33.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 103' ' ' LEU . 4.0 mm? -106.05 107.66 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.427 HG21 HG11 ' A' ' 137' ' ' VAL . 1.7 t -112.41 143.63 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -110.18 100.53 9.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.497 ' CG1' ' HD2' ' A' ' 90' ' ' LYS . 21.0 t -107.04 130.76 58.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 46.06 44.73 11.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 63.37 37.76 95.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -144.98 128.94 17.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.545 ' HE3' HG21 ' A' ' 95' ' ' VAL . 23.2 mtpt -73.35 136.9 44.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.585 ' CE3' HD21 ' A' ' 135' ' ' LEU . 99.5 m95 -133.6 158.51 43.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 34.9 mm -106.59 90.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -106.48 160.62 15.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.516 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 1.8 p90 -132.83 121.66 23.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.1 t -128.97 118.29 22.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -53.56 -27.75 27.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -83.91 115.0 22.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 pttm -51.99 120.82 5.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.8 mt -99.55 178.94 4.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.421 ' N ' ' OD2' ' A' ' 123' ' ' ASP . 1.2 m -139.08 133.12 31.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.508 HD12 ' CD1' ' A' ' 97' ' ' ILE . 9.9 mp -39.21 124.03 1.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.456 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 96.84 -5.88 64.21 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.43 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.653 ' HB2' HG21 ' A' ' 94' ' ' VAL . 24.4 m-20 -66.17 143.03 57.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.455 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 14.7 tpp180 -91.55 130.58 37.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.737 ' O ' HG23 ' A' ' 91' ' ' VAL . 23.3 m -143.5 146.77 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 19.3 ttm -113.12 122.68 48.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.547 HG13 ' HB2' ' A' ' 135' ' ' LEU . 9.9 t -49.27 131.55 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 136' ' ' LYS . 7.3 p -113.9 -15.47 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -160.62 156.7 26.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.715 HG22 ' HB3' ' A' ' 135' ' ' LEU . 54.1 t -140.89 108.7 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -94.5 27.39 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.485 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 96.01 -85.74 0.91 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.543 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.7 tp -86.77 -0.68 56.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.95 0.405 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.791 ' C ' HD23 ' A' ' 135' ' ' LEU . 47.0 mtmt -140.54 170.82 15.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.791 HD23 ' C ' ' A' ' 134' ' ' LYS . 0.2 OUTLIER -168.53 126.69 1.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.492 ' HB3' ' CG1' ' A' ' 128' ' ' VAL . 4.2 mmmm -59.06 170.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.427 HG11 HG21 ' A' ' 104' ' ' VAL . 33.5 m -151.58 135.5 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 140' ' ' ILE . 63.1 mttt -112.18 124.64 52.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.596 ' HA ' HG12 ' A' ' 125' ' ' VAL . 3.8 tpp85 -57.54 120.11 7.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.958 HD11 HG21 ' A' ' 91' ' ' VAL . 37.4 pt . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 111.112 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.425 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 66.49 43.27 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 87' ' ' LEU . 16.7 pt-20 -124.9 -29.58 3.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.687 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -31.26 -44.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.58 110.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.24 -36.09 4.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -65.14 159.15 24.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.3 t -104.79 134.02 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.91 160.45 17.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -109.28 125.97 52.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 123' ' ' ASP . 3.2 m -66.69 120.55 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.5 m -98.63 -20.38 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.169 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 97' ' ' ILE . 11.8 tmtt? -174.06 147.94 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.543 HG23 ' CD2' ' A' ' 102' ' ' TYR . 3.8 mp -117.22 147.25 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -153.16 131.04 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -43.02 -52.79 5.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -56.74 -38.17 72.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.713 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 57.1 p-80 -173.47 159.36 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.543 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.3 m-85 -102.4 148.98 24.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 103' ' ' LEU . 3.6 mm? -106.29 105.58 15.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 111' ' ' TRP . 1.1 t -112.9 129.96 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -94.41 104.55 16.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.489 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 21.3 t -106.16 130.42 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 47.48 36.42 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.8 30.17 60.05 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.548 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -145.65 118.04 8.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -58.73 149.28 26.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.609 ' CZ2' HD11 ' A' ' 87' ' ' LEU . 82.0 m95 -137.07 178.09 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.542 HD12 ' CD2' ' A' ' 101' ' ' HIS . 50.3 mm -121.75 99.32 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.762 ' HB2' HD22 ' A' ' 135' ' ' LEU . . . -124.8 160.83 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.5 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 5.6 p90 -133.18 122.03 23.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.0 t -130.52 142.1 50.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.97 -18.71 42.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.82 119.14 19.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -49.47 100.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 102' ' ' TYR . 42.3 mt -87.09 164.62 16.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 m -139.74 133.28 30.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.1 mp -42.81 112.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.597 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 109.14 0.73 31.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.714 ' O ' HG22 ' A' ' 94' ' ' VAL . 3.1 t70 -80.33 143.19 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.835 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -91.3 124.97 35.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.68 149.37 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.415 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 32.4 ttm -111.73 150.48 30.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.661 HG13 ' HB2' ' A' ' 135' ' ' LEU . 59.3 t -78.21 100.68 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.71 HG21 ' HG3' ' A' ' 138' ' ' LYS . 2.1 t -64.38 -39.11 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -165.08 154.95 13.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.6 p -157.69 127.25 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -103.66 -27.5 12.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.91 -93.38 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.0 tp -108.28 28.16 8.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -140.66 105.12 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.893 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -109.26 85.47 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.498 ' O ' HG23 ' A' ' 128' ' ' VAL . 4.4 mtpt -38.67 112.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 135' ' ' LEU . 16.4 m -107.68 129.47 61.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.71 ' HG3' HG21 ' A' ' 128' ' ' VAL . 19.8 mtmm -127.54 151.37 48.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -56.43 132.38 51.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.2 pt . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.624 0.726 . . . . 0.0 111.133 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.789 0.328 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.543 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.4 t80 57.16 41.67 26.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 87' ' ' LEU . 5.7 mm-40 -120.18 -22.93 6.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.651 ' H ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -36.75 -37.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 129.51 42.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.82 -29.47 6.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -71.59 168.05 18.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.445 ' CG1' ' HG2' ' A' ' 124' ' ' ARG . 56.0 t -119.22 124.57 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -118.01 -170.17 14.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.451 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -134.93 128.75 33.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.69 HG21 ' O ' ' A' ' 120' ' ' SER . 4.4 m -58.3 128.85 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.507 HG23 HD23 ' A' ' 103' ' ' LEU . 27.7 m -111.82 -11.28 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 103' ' ' LEU . 10.3 ttpp -173.67 150.67 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.586 HG23 ' CD2' ' A' ' 102' ' ' TYR . 5.2 mp -130.26 140.59 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -153.88 130.84 10.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -43.44 -50.88 6.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.64 -38.13 80.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.713 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 48.6 p-80 -168.55 157.8 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.586 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -108.42 146.62 32.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.57 HD21 ' HD3' ' A' ' 110' ' ' LYS . 8.8 tp -103.11 103.46 13.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.709 HG11 HG11 ' A' ' 137' ' ' VAL . 2.3 t -110.17 125.32 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -91.35 105.42 17.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.543 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 70.7 t -106.47 126.49 62.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 50.66 39.62 22.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.95 34.24 65.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -145.7 121.72 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.872 0.368 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.57 ' HD3' HD21 ' A' ' 103' ' ' LEU . 54.7 mttt -63.76 143.03 58.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.631 ' CB ' HD11 ' A' ' 135' ' ' LEU . 96.9 m95 -136.19 166.11 24.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.444 HD13 HD12 ' A' ' 133' ' ' LEU . 4.3 mp -111.18 89.85 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -114.88 166.58 11.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.584 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.0 p90 -138.67 130.59 28.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.9 t -121.41 131.1 53.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -27.93 69.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 118' ' ' LYS . 13.7 pt-20 -100.05 110.91 23.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' GLU . 0.3 OUTLIER -35.98 133.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.9 mt -105.99 168.9 8.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.69 ' O ' HG21 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -123.55 143.99 49.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.813 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 96' ' ' LYS . 50.3 mt -60.99 125.45 23.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.611 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 97.22 3.91 58.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.686 ' O ' HG22 ' A' ' 94' ' ' VAL . 42.1 m-20 -87.19 131.63 34.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.788 0.328 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.445 ' HG2' ' CG1' ' A' ' 91' ' ' VAL . 18.2 ttt180 -80.51 130.86 35.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 139' ' ' ARG . 22.5 m -133.89 152.8 35.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 28.7 ttm -118.76 126.45 51.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.493 HG13 ' HB2' ' A' ' 135' ' ' LEU . 46.2 t -54.98 124.56 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.471 HG21 ' HE2' ' A' ' 138' ' ' LYS . 14.3 p -93.23 -33.33 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -156.86 145.51 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 1.0 HG22 ' HB3' ' A' ' 135' ' ' LEU . 74.2 t -128.36 137.02 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -119.57 -7.86 10.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 146.34 -100.82 0.23 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.505 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 133' ' ' LEU . 0.2 OUTLIER -79.0 -1.2 34.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.941 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.433 ' HD2' ' C ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -131.24 163.21 28.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 1.0 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.3 OUTLIER -165.71 107.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.413 ' HB3' ' CG1' ' A' ' 128' ' ' VAL . 25.9 ttmt -54.39 141.26 31.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.709 HG11 HG11 ' A' ' 104' ' ' VAL . 28.2 m -120.78 141.23 42.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.471 ' HE2' HG21 ' A' ' 128' ' ' VAL . 45.8 mttm -117.15 125.59 51.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.42 ' HA ' HG12 ' A' ' 125' ' ' VAL . 3.1 tpp85 -58.76 122.06 12.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 30.5 pt . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.638 0.733 . . . . 0.0 111.084 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.842 0.353 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.472 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 42.47 44.87 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -125.73 -12.66 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.666 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -43.3 -37.15 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -45.97 113.79 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.48 -34.99 5.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -74.96 155.67 37.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 125' ' ' VAL . 8.9 p -115.81 137.65 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -120.13 -166.04 13.08 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.51 125.03 39.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.75 HG22 ' O ' ' A' ' 123' ' ' ASP . 3.5 m -63.03 100.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.4 m -79.44 -26.76 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.589 ' HA ' HD21 ' A' ' 121' ' ' LEU . 27.0 tttp -167.52 154.34 8.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.566 HG23 ' CD2' ' A' ' 102' ' ' TYR . 4.3 mp -125.03 137.49 57.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -144.79 131.15 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.089 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -43.73 -52.54 6.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.85 -39.03 76.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.772 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 48.5 p-80 -169.42 152.79 4.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.5 m-85 -99.81 145.74 27.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 103' ' ' LEU . 3.4 mm? -102.81 103.49 13.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.526 HG11 HG11 ' A' ' 137' ' ' VAL . 1.4 t -111.75 127.53 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -90.12 106.1 18.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.544 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 48.0 t -107.65 114.64 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 62.11 31.78 17.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 76.89 33.01 47.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.442 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 37.2 m-20 -145.75 116.12 7.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -58.51 140.71 53.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.605 ' CZ2' HD11 ' A' ' 87' ' ' LEU . 91.6 m95 -130.47 179.25 6.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.57 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.0 mp -122.12 98.31 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -130.56 167.98 17.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.06 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.574 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.4 p90 -131.04 141.48 50.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.1 p -121.16 136.9 54.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -73.0 -20.62 60.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -116.68 111.36 19.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -39.21 101.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.0 mt -68.7 -178.52 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.01 135.04 47.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.589 HD21 ' HA ' ' A' ' 96' ' ' LYS . 13.7 mt -48.3 121.81 4.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.609 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 95.65 4.79 60.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.51 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.75 ' O ' HG22 ' A' ' 94' ' ' VAL . 37.8 m-20 -87.67 129.59 35.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -76.32 138.83 40.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.868 ' O ' HG23 ' A' ' 91' ' ' VAL . 33.7 m -144.4 147.54 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.6 ttp -112.39 144.52 41.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.7 t -66.53 95.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 138' ' ' LYS . 1.9 t -59.14 -37.47 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -170.42 168.73 7.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.576 HG21 HD12 ' A' ' 135' ' ' LEU . 1.4 p -167.25 119.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -88.9 -23.01 22.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.12 -98.71 0.15 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.508 ' CD1' ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -101.52 -0.94 34.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 0.0 110.924 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.905 ' C ' HD13 ' A' ' 135' ' ' LEU . 15.6 mmtm -100.21 118.97 37.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.905 HD13 ' C ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -112.62 93.13 4.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.905 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.461 ' O ' HG23 ' A' ' 128' ' ' VAL . 15.1 mtpt -53.45 119.19 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.526 HG11 HG11 ' A' ' 104' ' ' VAL . 20.1 m -104.34 135.62 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.465 ' HB2' HG22 ' A' ' 128' ' ' VAL . 20.3 mtpt -133.16 138.52 46.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -50.68 128.49 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.786 HD11 HG21 ' A' ' 91' ' ' VAL . 5.5 pt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.656 0.741 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 86' ' ' GLU . 9.8 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.827 0.346 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.513 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.5 t80 58.58 42.45 20.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 87' ' ' LEU . 6.2 mm-40 -124.91 -24.64 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.643 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -34.49 -41.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HA ' ' CG1' ' A' ' 127' ' ' VAL . 7.7 ttpm? -45.75 134.93 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.82 -42.95 3.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -65.44 171.11 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.446 HG11 ' NH1' ' A' ' 124' ' ' ARG . 48.4 t -117.67 136.66 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.65 178.16 16.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.78 132.15 54.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.603 HG23 ' H ' ' A' ' 122' ' ' GLY . 15.3 m -71.88 95.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.4 HG23 ' HB3' ' A' ' 103' ' ' LEU . 13.4 m -72.08 -26.77 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.583 ' HA ' HD11 ' A' ' 121' ' ' LEU . 12.9 ttpp -163.67 162.03 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.851 HG23 ' CD2' ' A' ' 102' ' ' TYR . 49.5 mt -137.35 133.41 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -141.65 138.91 32.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.444 ' OE1' ' C ' ' A' ' 99' ' ' GLU . 1.8 tm-20 -49.33 -50.86 37.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -59.9 -38.19 81.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.666 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 55.7 p-80 -167.13 163.01 15.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.851 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -113.68 145.92 40.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.4 ' HB3' HG23 ' A' ' 95' ' ' VAL . 3.9 mm? -102.92 106.81 17.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.458 HG11 HG11 ' A' ' 137' ' ' VAL . 2.2 t -114.83 121.52 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -87.84 109.94 20.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.523 HG11 ' HB3' ' A' ' 87' ' ' LEU . 61.3 t -115.16 136.18 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 44.65 36.65 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.2 34.19 64.52 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -145.71 123.05 11.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.88 0.372 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -62.46 140.99 58.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.512 ' CE2' ' HG ' ' A' ' 87' ' ' LEU . 91.5 m95 -134.98 155.41 50.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.06 93.18 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.426 ' HB2' HD12 ' A' ' 135' ' ' LEU . . . -110.48 168.38 9.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.467 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.5 p90 -131.8 131.05 42.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.429 ' OG ' ' CE2' ' A' ' 102' ' ' TYR . 16.9 p -121.72 137.06 54.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.75 -15.05 58.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -116.58 111.11 19.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -40.45 105.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 97' ' ' ILE . 70.9 mt -74.71 -176.8 2.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.503 ' O ' HG21 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -127.57 139.91 52.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.583 HD11 ' HA ' ' A' ' 96' ' ' LYS . 4.0 mm? -56.19 119.25 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.603 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 97.62 5.88 57.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.593 ' O ' HG22 ' A' ' 94' ' ' VAL . 10.4 t0 -79.91 140.93 36.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.357 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.446 ' NH1' HG11 ' A' ' 91' ' ' VAL . 5.5 ttp85 -89.97 131.1 36.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.463 ' CG2' ' HB ' ' A' ' 137' ' ' VAL . 24.2 m -139.87 150.37 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 45.2 ttm -112.65 137.17 51.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 40.1 t -61.27 120.25 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' A' ' 136' ' ' LYS . 7.9 p -87.9 -35.39 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 128' ' ' VAL . 4.5 m-20 -175.3 146.08 0.8 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.536 HG12 ' HB3' ' A' ' 135' ' ' LEU . 0.8 OUTLIER -118.05 131.56 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.07 28.09 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 116.32 -80.88 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.3 tp -119.87 17.08 12.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -154.33 105.01 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.536 ' HB3' HG12 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -103.94 166.66 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.488 ' HB2' ' CG1' ' A' ' 128' ' ' VAL . 6.4 mtpm? -104.25 140.73 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 27.6 m -114.59 138.98 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -119.73 130.56 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -58.05 123.27 15.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 19.8 pt . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 111.141 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.812 0.339 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.535 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.2 t80 54.25 43.37 30.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -122.71 -18.5 6.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.641 ' N ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -38.57 -35.49 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -46.79 129.89 11.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.7 -36.71 2.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -66.42 156.88 33.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.611 HG21 HD11 ' A' ' 140' ' ' ILE . 8.0 p -113.76 138.73 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -126.88 -167.3 12.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.79 127.23 41.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.772 0.32 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.76 HG22 ' O ' ' A' ' 123' ' ' ASP . 3.4 m -66.13 124.5 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.864 HG21 ' CD ' ' A' ' 110' ' ' LYS . 26.3 m -96.48 -30.59 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.595 ' HA ' HD11 ' A' ' 121' ' ' LEU . 33.1 tttp -163.11 158.24 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.935 HG23 ' CD2' ' A' ' 102' ' ' TYR . 20.6 mt -127.76 138.77 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -150.01 130.34 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -42.05 -52.33 4.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -56.04 -38.83 71.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.599 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 38.0 p-80 -171.65 159.06 5.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.935 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -110.27 149.51 30.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.5 mt -107.66 110.87 22.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.523 HG21 HG11 ' A' ' 137' ' ' VAL . 1.2 t -117.5 128.98 74.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -88.25 111.98 22.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.48 HG11 ' HB3' ' A' ' 87' ' ' LEU . 65.7 t -116.46 115.0 47.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 63.58 26.46 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 85.92 27.35 31.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.469 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 27.8 m-20 -145.72 117.93 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.837 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.864 ' CD ' HG21 ' A' ' 95' ' ' VAL . 18.6 mtmt -64.36 141.91 58.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.469 ' CD1' ' O ' ' A' ' 109' ' ' ASP . 89.5 m95 -127.52 178.6 5.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 112' ' ' ILE . 3.1 mp -113.98 96.63 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -116.14 158.03 23.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.525 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.3 p90 -130.19 121.6 26.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.1 t -130.77 126.14 35.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -62.64 -25.43 68.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -83.24 116.3 22.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.73 101.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.4 ' C ' ' CD1' ' A' ' 97' ' ' ILE . 22.4 mt -76.29 -176.65 3.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.15 133.88 26.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.595 HD11 ' HA ' ' A' ' 96' ' ' LYS . 9.3 mp -47.37 119.97 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.604 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 102.33 1.86 50.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.487 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.76 ' O ' HG22 ' A' ' 94' ' ' VAL . 69.7 m-20 -84.23 126.31 33.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.752 0.311 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -75.39 124.09 26.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 139' ' ' ARG . 18.8 m -131.87 143.49 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 4.3 ttm -102.81 138.58 39.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.685 HG13 ' HB2' ' A' ' 135' ' ' LEU . 39.1 t -65.52 115.77 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.6 t -76.07 -43.63 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -163.15 162.53 25.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.885 HG22 ' HB3' ' A' ' 135' ' ' LEU . 79.6 t -125.77 120.04 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.12 28.17 7.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.538 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 122.71 -112.82 2.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' A' ' 133' ' ' LEU . 0.1 OUTLIER -82.5 -1.9 51.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.03 178.62 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.885 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -173.63 127.89 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -63.93 160.92 16.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.523 HG11 HG21 ' A' ' 104' ' ' VAL . 30.1 m -144.65 138.78 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 140' ' ' ILE . 15.3 pttp -125.71 124.99 42.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.407 ' HA ' HG12 ' A' ' 125' ' ' VAL . 12.9 ttt180 -52.61 133.34 36.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.611 HD11 HG21 ' A' ' 91' ' ' VAL . 31.2 pt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.53 HG23 ' HG2' ' A' ' 86' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.809 0.337 . . . . 0.0 111.124 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.549 ' CE1' ' O ' ' A' ' 130' ' ' VAL . 1.0 OUTLIER 42.56 47.11 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.53 ' HG2' HG23 ' A' ' 84' ' ' THR . 22.7 pt-20 -121.88 -28.91 4.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.696 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -32.36 -35.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.985 ' HB2' HG12 ' A' ' 130' ' ' VAL . 9.7 tttp -62.65 131.5 49.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.14 -26.84 17.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -86.61 170.43 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.478 HG22 ' HB2' ' A' ' 126' ' ' MET . 60.7 t -118.32 128.93 75.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -116.66 -172.2 16.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.88 126.87 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.886 0.374 . . . . 0.0 110.835 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.987 HG22 ' O ' ' A' ' 123' ' ' ASP . 6.6 m -68.51 116.55 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.441 ' CG2' ' HB3' ' A' ' 103' ' ' LEU . 18.9 m -92.57 -30.66 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.438 ' C ' HG13 ' A' ' 97' ' ' ILE . 14.0 mtpp -154.07 173.61 15.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.638 HG23 ' CD2' ' A' ' 102' ' ' TYR . 46.0 mt -145.81 132.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -143.34 133.31 24.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -46.14 -50.91 14.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.11 -36.45 79.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.805 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 49.3 p-80 -168.53 152.65 5.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.638 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -104.12 150.89 23.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.441 ' HB3' ' CG2' ' A' ' 95' ' ' VAL . 4.3 mm? -104.22 108.55 19.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.753 HG21 HG11 ' A' ' 137' ' ' VAL . 1.2 t -118.56 127.76 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -90.35 115.45 27.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.528 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 46.7 t -121.16 127.91 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 55.77 29.62 14.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.61 27.65 56.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.402 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 0.8 OUTLIER -145.67 119.93 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -59.61 144.84 46.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.604 ' HB3' HD21 ' A' ' 135' ' ' LEU . 86.8 m95 -133.15 176.45 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.424 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.9 mp -116.44 101.86 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.745 ' HB2' ' CD2' ' A' ' 135' ' ' LEU . . . -128.18 163.17 25.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.581 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 3.9 p90 -133.77 132.93 41.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.3 t -123.25 136.98 54.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -67.42 -23.65 65.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 9.3 pt-20 -104.03 113.96 27.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -47.98 107.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.404 ' O ' HD13 ' A' ' 97' ' ' ILE . 10.1 mt -78.45 -176.12 4.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.31 133.9 41.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.405 HD12 HD12 ' A' ' 97' ' ' ILE . 9.4 mp -51.02 126.01 15.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.558 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 100.67 -1.78 55.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.987 ' O ' HG22 ' A' ' 94' ' ' VAL . 2.4 t70 -88.55 139.24 30.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.0 ptt-85 -84.25 140.03 31.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 30.9 m -144.32 151.15 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.478 ' HB2' HG22 ' A' ' 91' ' ' VAL . 34.1 ttm -111.94 134.89 53.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.477 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 86.1 t -64.72 102.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.428 HG21 ' HG3' ' A' ' 138' ' ' LYS . 1.5 t -60.91 -36.55 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -171.25 154.6 4.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.985 HG12 ' HB2' ' A' ' 88' ' ' LYS . 7.7 p -156.53 127.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -109.56 -15.25 14.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -167.16 -93.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.7 mt -111.0 18.27 19.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -128.72 95.61 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.789 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -103.56 80.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 135' ' ' LEU . 17.7 mttm -37.11 126.34 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.753 HG11 HG21 ' A' ' 104' ' ' VAL . 33.3 m -113.99 129.29 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.428 ' HG3' HG21 ' A' ' 128' ' ' VAL . 39.3 mttp -122.15 138.81 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 -59.51 132.03 52.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 30.0 pt . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.593 0.711 . . . . 0.0 111.161 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 86' ' ' GLU . 8.9 t . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.853 0.358 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.403 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.0 OUTLIER 64.29 43.31 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 87' ' ' LEU . 20.0 mm-40 -127.72 -29.6 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.665 ' H ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -30.66 -40.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.931 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -47.46 97.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.54 -30.77 8.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.504 ' HE2' ' N ' ' A' ' 87' ' ' LEU . 46.7 mtmt -67.25 161.13 25.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.7 t -109.3 130.48 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.14 -160.59 12.82 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.27 148.88 50.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.762 HG11 ' O ' ' A' ' 120' ' ' SER . 2.2 t -88.43 112.47 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.502 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 17.4 m -98.24 -38.65 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.486 ' HD2' ' N ' ' A' ' 97' ' ' ILE . 1.6 tmmm? -154.81 154.31 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.614 HD11 ' CG1' ' A' ' 94' ' ' VAL . 4.2 mp -130.07 141.81 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -153.63 133.26 12.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -48.03 -45.87 32.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -63.47 -34.82 78.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.72 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 53.4 p-80 -173.17 151.96 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.559 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.1 m-85 -105.91 143.71 33.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.612 HD12 ' HD2' ' A' ' 110' ' ' LYS . 2.8 mm? -101.88 103.32 13.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.5 t -110.66 119.8 60.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.132 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -85.11 102.21 13.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.538 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 41.4 t -103.87 116.83 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 57.98 37.03 26.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.54 31.49 56.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 16.4 m-20 -145.79 112.58 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.391 . . . . 0.0 110.83 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.612 ' HD2' HD12 ' A' ' 103' ' ' LEU . 17.7 mtmt -60.46 137.77 58.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.538 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 93.1 m95 -124.95 171.37 10.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.3 mp -113.43 88.15 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -108.95 156.78 19.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.507 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 1.5 p90 -127.1 121.44 31.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 116' ' ' ASP . 33.2 m -135.92 107.65 7.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.803 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 115' ' ' SER . 1.1 m-20 -37.17 -33.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 115' ' ' SER . 45.4 mt-10 -77.72 114.72 16.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 99.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.3 173.09 6.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.762 ' O ' HG11 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -122.67 162.65 21.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 95' ' ' VAL . 3.6 mm? -62.04 125.5 24.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 89.59 3.31 74.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.508 ' O ' ' CG2' ' A' ' 94' ' ' VAL . 1.4 m-20 -86.46 100.01 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.402 ' C ' HG13 ' A' ' 125' ' ' VAL . 4.7 ptt-85 -60.14 159.9 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.425 HG21 HG21 ' A' ' 137' ' ' VAL . 33.4 m -157.31 145.55 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 35.7 ttp -107.24 128.84 54.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.581 HG13 ' HB2' ' A' ' 135' ' ' LEU . 46.4 t -59.41 124.38 13.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 136' ' ' LYS . 14.8 p -96.92 -32.46 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -148.88 143.18 26.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.847 HG22 ' HB3' ' A' ' 135' ' ' LEU . 70.8 t -128.4 122.51 57.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -115.81 23.61 12.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 113.15 -111.34 2.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 13.0 mt -82.38 19.26 1.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.853 0.358 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -153.65 115.73 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.847 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.3 OUTLIER -122.93 125.7 45.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 137' ' ' VAL . 9.3 tmtt? -72.33 137.28 46.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.474 ' N ' ' HD3' ' A' ' 136' ' ' LYS . 12.5 m -121.75 149.39 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -132.69 131.12 40.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.97 133.65 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.8 pt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.6 0.714 . . . . 0.0 111.132 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.841 0.353 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.492 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.1 t80 45.37 42.95 8.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -121.61 -25.13 5.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.689 ' N ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -39.9 -34.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.95 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -41.75 106.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.98 -36.57 3.89 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' LEU . 72.2 mttt -57.77 156.59 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 75.3 t -105.29 134.99 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.7 176.35 17.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -119.75 138.47 53.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.613 HG23 ' H ' ' A' ' 122' ' ' GLY . 3.5 m -77.23 84.81 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.926 HG21 ' HE3' ' A' ' 110' ' ' LYS . 16.5 m -64.16 -18.61 23.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -173.13 152.29 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.56 HG23 ' CD2' ' A' ' 102' ' ' TYR . 5.1 mp -124.7 140.16 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -149.79 132.46 15.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -45.85 -50.17 14.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -36.49 76.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.704 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 42.9 p-80 -170.33 158.7 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.569 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.3 m-85 -107.69 151.38 25.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.443 ' HB3' HG23 ' A' ' 95' ' ' VAL . 14.6 mt -109.17 110.68 21.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.679 HG21 HG11 ' A' ' 137' ' ' VAL . 1.2 t -122.78 117.68 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.451 ' OE2' ' C ' ' A' ' 108' ' ' GLY . 8.1 tp10 -79.95 102.12 9.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.576 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 16.7 t -108.4 136.84 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 106' ' ' VAL . 7.3 pt-20 50.65 28.24 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.451 ' C ' ' OE2' ' A' ' 105' ' ' GLU . . . 79.64 29.76 46.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.431 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -146.21 128.76 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.926 ' HE3' HG21 ' A' ' 95' ' ' VAL . 34.7 mtpt -68.86 120.59 15.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.806 ' CE3' HD21 ' A' ' 135' ' ' LEU . 90.2 m95 -110.75 174.29 5.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.555 HD12 ' N ' ' A' ' 112' ' ' ILE . 3.1 mp -115.13 95.98 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.484 ' HB1' HG13 ' A' ' 137' ' ' VAL . . . -111.36 162.96 14.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.569 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.8 p90 -137.04 122.1 19.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.9 t -123.23 127.13 48.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -23.86 67.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.82 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -92.62 114.16 26.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.61 122.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.1 mt -97.31 160.22 14.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.965 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 123' ' ' ASP . 0.8 OUTLIER -119.77 134.12 55.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 7.5 mt -48.55 127.22 12.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.613 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 93.14 2.84 65.89 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.607 ' O ' HG22 ' A' ' 94' ' ' VAL . 20.2 m-20 -82.6 122.71 28.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -76.14 120.25 21.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 25.0 m -125.76 150.72 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 34.7 ttp -111.52 143.04 43.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.605 HG13 ' HB2' ' A' ' 135' ' ' LEU . 45.6 t -66.5 108.89 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.7 t -72.74 -39.42 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -175.84 141.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.585 HG12 ' HB3' ' A' ' 135' ' ' LEU . 0.9 OUTLIER -118.98 133.28 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -100.92 3.44 41.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 149.63 -76.12 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.7 mt -117.06 -3.07 11.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -120.26 97.58 5.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.806 HD21 ' CE3' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -92.46 118.78 31.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.894 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.0 169.73 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.679 HG11 HG21 ' A' ' 104' ' ' VAL . 33.3 m -150.75 132.79 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.14 128.91 52.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -61.4 116.03 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 45.5 pt . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 111.13 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 74' ' ' GLU . 10.1 mmp_? -91.28 -38.72 12.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 73' ' ' ARG . 2.1 tt0 -33.55 134.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.01 119.83 39.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.95 51.41 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.442 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 3.5 t0 -124.88 108.18 11.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.579 ' H ' HD12 ' A' ' 78' ' ' ILE . 5.1 mp -73.61 -42.21 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.72 -148.52 18.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.11 -70.26 0.52 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -79.78 140.18 22.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.32 17.63 4.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.768 0.318 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.499 ' CE1' HD21 ' A' ' 133' ' ' LEU . 4.2 m-30 -94.37 94.22 8.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.604 HG23 ' HG2' ' A' ' 86' ' ' GLU . 1.8 t -97.31 -8.99 28.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 40.73 49.34 2.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.604 ' HG2' HG23 ' A' ' 84' ' ' THR . 23.4 pt-20 -125.27 -24.39 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.669 ' N ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -39.27 -34.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.886 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.18 112.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.53 -30.55 10.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -72.56 160.98 31.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.7 t -105.67 129.9 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.17 165.33 14.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.9 140.87 43.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.347 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 123' ' ' ASP . 4.7 m -83.17 102.74 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.44 HG21 ' CG ' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -83.18 -20.68 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -166.09 149.5 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.918 HG23 ' CD2' ' A' ' 102' ' ' TYR . 5.3 mp -128.17 145.31 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -156.55 130.27 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.86 -53.72 3.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -55.41 -35.55 65.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.639 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 56.1 p-80 -174.78 152.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.918 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.1 m-85 -103.71 151.67 22.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.953 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' A' ' 110' ' ' LYS . 3.3 mm? -109.5 103.21 12.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.569 HG21 HG11 ' A' ' 137' ' ' VAL . 1.5 t -109.02 109.37 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -73.18 99.98 2.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.564 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 39.3 t -108.76 136.1 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 106' ' ' VAL . 3.8 pt-20 51.36 25.0 2.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.73 29.07 33.24 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -146.15 125.87 13.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.516 ' HB3' HD12 ' A' ' 103' ' ' LEU . 10.5 mtmm -71.57 116.15 11.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.564 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 91.4 m95 -100.43 179.03 4.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.55 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.1 mp -117.5 91.23 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -116.79 166.06 12.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.567 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -136.04 130.07 32.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t -119.93 132.4 55.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.18 -20.41 64.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.34 111.21 23.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -39.46 125.62 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.88 172.55 7.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.449 ' CB ' ' OD2' ' A' ' 123' ' ' ASP . 0.7 OUTLIER -123.89 137.78 54.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.5 mt -47.62 120.05 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.61 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 93.02 5.76 63.84 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.666 ' O ' HG22 ' A' ' 94' ' ' VAL . 63.5 m-20 -77.47 131.74 38.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.8 mtm-85 -79.4 132.18 36.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.475 ' CG2' ' HB ' ' A' ' 137' ' ' VAL . 9.3 m -141.0 143.47 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 36.6 ttp -109.05 133.69 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.506 HG13 ' HB2' ' A' ' 135' ' ' LEU . 86.4 t -67.75 114.85 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 136' ' ' LYS . 6.7 p -77.62 -35.95 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -163.25 156.26 18.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.609 HG22 ' HB3' ' A' ' 135' ' ' LEU . 18.9 t -125.83 122.83 62.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.22 44.51 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.05 -91.47 0.9 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.466 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.499 HD21 ' CE1' ' A' ' 83' ' ' TYR . 22.2 mt -103.15 3.55 35.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -124.67 141.56 52.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.609 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -136.8 108.54 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.53 ' O ' HG12 ' A' ' 128' ' ' VAL . 0.2 OUTLIER -59.73 126.13 26.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.569 HG11 HG21 ' A' ' 104' ' ' VAL . 35.3 m -109.01 143.7 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 140' ' ' ILE . 39.1 mtmt -131.24 117.63 19.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -46.9 135.11 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 138' ' ' LYS . 36.0 pt -127.01 142.93 45.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 147.62 63.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.27 . . . . 0.0 112.341 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 162.94 40.21 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 2.238 . . . . 0.0 112.362 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 144' ' ' LEU . 14.2 tt0 -60.48 -58.23 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.6 ' H ' HD12 ' A' ' 144' ' ' LEU . 2.6 mp -34.45 -36.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 143' ' ' GLN . 5.9 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.438 ' NE ' ' N ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.0 ttm105 -84.63 5.73 26.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -93.72 29.75 1.97 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.6 p -61.7 85.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 85.0 m -100.75 -60.38 1.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -79.4 112.94 17.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 61.4 mt -86.23 -49.69 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.82 60.27 0.81 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.494 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -97.07 45.39 1.8 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.85 143.63 0.55 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.513 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -90.28 -26.88 19.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.576 ' CD1' ' N ' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -72.15 96.44 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.5 t -112.38 -18.43 12.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.545 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 3.0 t80 61.51 41.4 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 87' ' ' LEU . 57.4 mm-40 -124.45 -22.7 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.641 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -34.95 -36.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 86' ' ' GLU . 18.5 tttt -48.59 115.44 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.47 -32.19 6.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.508 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -66.93 155.66 37.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 125' ' ' VAL . 21.3 t -107.1 140.23 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.84 175.72 19.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -116.31 121.32 41.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 123' ' ' ASP . 4.5 m -63.51 106.76 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.707 HG21 ' CD ' ' A' ' 110' ' ' LYS . 19.6 m -81.82 -19.55 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.657 ' HA ' HD11 ' A' ' 121' ' ' LEU . 20.8 ttpt -173.02 163.19 4.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.701 HG23 ' CD2' ' A' ' 102' ' ' TYR . 21.2 mt -133.19 142.99 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -151.79 134.6 15.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -47.54 -50.3 24.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -60.14 -33.47 72.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.713 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 35.8 p-80 -174.18 159.29 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.701 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.3 m-85 -109.65 154.13 23.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -110.65 110.19 20.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.569 HG21 HG11 ' A' ' 137' ' ' VAL . 1.2 t -117.57 122.32 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -83.76 113.25 20.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.495 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 58.9 t -120.44 116.32 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 62.85 27.5 16.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.29 27.27 40.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 7.9 m-20 -145.58 114.53 6.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.707 ' CD ' HG21 ' A' ' 95' ' ' VAL . 14.8 mtmm -63.75 136.76 57.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.612 ' HB3' HD21 ' A' ' 135' ' ' LEU . 81.8 m95 -117.87 177.08 4.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.4 mp -116.53 93.06 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -121.34 164.85 16.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.576 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.0 p90 -135.2 126.98 29.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.1 t -123.13 128.58 50.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.05 -27.34 65.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -88.64 115.56 26.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -52.68 97.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 42.8 mt -66.96 -177.74 0.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.3 134.91 31.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.657 HD11 ' HA ' ' A' ' 96' ' ' LYS . 4.6 mm? -44.81 121.29 2.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.603 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 93.57 4.81 63.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.537 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.626 ' O ' HG22 ' A' ' 94' ' ' VAL . 41.7 m-20 -82.7 122.54 28.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -72.45 127.01 31.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.636 ' O ' HG13 ' A' ' 91' ' ' VAL . 34.7 m -131.37 164.58 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 51.0 ttm -130.31 142.84 50.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.583 HG13 ' HB2' ' A' ' 135' ' ' LEU . 38.3 t -75.81 103.57 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 136' ' ' LYS . 3.2 p -78.78 -16.29 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -175.28 152.68 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.2 p -164.2 134.31 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -128.74 50.5 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 133.93 -98.16 0.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 29.0 mt -115.48 -1.29 12.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -108.63 99.8 9.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.651 HD23 ' N ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -105.9 105.86 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.568 ' O ' HG12 ' A' ' 128' ' ' VAL . 32.5 mttt -57.97 114.93 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.569 HG11 HG21 ' A' ' 104' ' ' VAL . 27.5 m -102.73 150.16 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -139.24 134.24 32.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -57.97 122.76 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.0 pt -119.33 138.98 27.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 166.29 28.1 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.641 2.227 . . . . 0.0 112.368 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 163.71 37.21 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.368 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -90.6 39.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 145' ' ' GLU . 3.6 pp -52.71 -39.24 61.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.425 ' N ' HD12 ' A' ' 144' ' ' LEU . 10.4 pt-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.812 0.339 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -38.62 -52.55 1.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -147.0 144.21 29.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 m -65.41 118.22 9.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.15 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 76.2 p -100.04 84.57 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -154.18 129.23 9.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 39.2 mt -59.32 -43.61 90.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.065 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.8 -108.64 2.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.86 -55.84 0.27 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 160.97 119.41 0.51 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -55.31 -21.54 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.589 ' CD1' ' N ' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -97.97 96.35 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 85' ' ' PHE . 10.0 t -108.71 0.22 20.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.513 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.0 t80 37.18 41.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -123.21 -18.45 6.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.682 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -41.44 -40.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -46.66 120.64 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.29 -31.43 5.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -71.13 151.62 44.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.353 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 125' ' ' VAL . 6.6 p -109.31 137.77 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.78 -164.63 12.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -131.19 130.06 42.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 123' ' ' ASP . 2.8 m -65.43 103.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.519 HG21 ' HE2' ' A' ' 110' ' ' LYS . 34.7 m -77.01 -30.37 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.186 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.459 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 6.4 tttp -170.68 160.06 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.48 HG23 ' CD2' ' A' ' 102' ' ' TYR . 44.0 mt -124.21 148.79 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -142.03 156.83 45.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -63.41 -46.15 87.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.49 -36.07 82.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.734 ' CD2' HG22 ' A' ' 112' ' ' ILE . 3.1 t60 -169.05 -175.56 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.513 ' N ' ' CD1' ' A' ' 102' ' ' TYR . 0.9 OUTLIER -118.13 152.89 34.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.631 HD12 ' HD3' ' A' ' 110' ' ' LYS . 3.2 mm? -106.58 116.35 31.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.542 HG21 ' HB3' ' A' ' 113' ' ' ALA . 1.1 t -121.1 121.89 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.499 ' HB2' HG11 ' A' ' 95' ' ' VAL . 10.5 tt0 -87.68 106.72 18.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.56 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 41.3 t -109.77 119.39 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 62.27 30.93 17.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 79.03 30.13 48.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -145.72 123.99 12.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.631 ' HD3' HD12 ' A' ' 103' ' ' LEU . 60.9 mttt -62.24 142.85 57.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.56 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 90.7 m95 -134.31 172.04 13.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.734 HG22 ' CD2' ' A' ' 101' ' ' HIS . 4.5 mp -109.5 100.08 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.607 ' O ' ' CD2' ' A' ' 101' ' ' HIS . . . -122.5 153.66 38.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.561 ' HB3' ' CE1' ' A' ' 101' ' ' HIS . 0.6 OUTLIER -119.74 129.12 54.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 p -117.86 134.41 54.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -75.11 -18.83 60.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 118' ' ' LYS . 30.3 mt-10 -117.37 111.57 19.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 117' ' ' GLU . 9.0 ptpp? -37.67 105.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.0 mt -74.36 173.31 10.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.414 ' CB ' ' OD2' ' A' ' 123' ' ' ASP . 0.7 OUTLIER -123.26 135.16 54.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 34.3 mt -47.41 120.73 3.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.607 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 97.97 3.69 57.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.544 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.778 ' O ' HG22 ' A' ' 94' ' ' VAL . 78.2 m-20 -84.18 133.31 34.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -82.37 136.12 35.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 139' ' ' ARG . 29.8 m -141.92 144.81 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 31.1 ttp -109.13 134.39 51.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.567 ' CG2' HD12 ' A' ' 135' ' ' LEU . 70.2 t -66.43 121.66 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.5 p -84.9 -35.53 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -162.94 145.69 10.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 1.013 HG22 ' HB3' ' A' ' 135' ' ' LEU . 75.7 t -111.6 118.36 57.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.49 48.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.415 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 97.91 -109.06 3.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -87.57 6.84 32.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -132.25 149.14 52.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 1.013 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -142.77 112.97 7.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -60.62 132.22 53.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 26.8 m -118.24 137.64 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -124.16 122.44 37.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.652 ' HA ' HG12 ' A' ' 125' ' ' VAL . 3.6 ttm-85 -45.93 135.93 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.472 HD11 HG21 ' A' ' 91' ' ' VAL . 31.6 pt -124.16 147.15 53.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.731 . . . . 0.0 111.121 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 150.15 67.42 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 178.18 4.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -93.55 1.66 56.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.9 mt -90.13 41.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.454 ' HA ' ' NE ' ' A' ' 72' ' ' ARG . 12.1 mmp_? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.769 0.319 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -85.5 -47.43 9.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -58.2 171.78 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -103.7 124.78 49.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.1 m -55.44 -50.07 70.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.083 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -136.86 111.51 8.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.7 pt -66.82 -25.46 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.19 -37.54 3.39 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.5 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.19 -48.06 48.81 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.477 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -151.03 164.04 29.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -98.58 38.68 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.793 0.33 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -118.83 111.81 18.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 t -106.41 -20.75 13.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.53 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.0 t80 59.22 43.78 16.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 88' ' ' LYS . 20.5 mt-10 -125.17 -26.52 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.664 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -32.9 -35.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 86' ' ' GLU . 12.5 tptp -41.48 109.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.94 -37.22 3.7 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -62.52 154.47 28.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.461 HG13 HD11 ' A' ' 140' ' ' ILE . 84.1 t -100.13 135.65 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.98 160.19 13.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.535 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.24 133.91 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.71 HG21 ' HB3' ' A' ' 123' ' ' ASP . 92.9 t -72.28 95.99 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 96' ' ' LYS . 19.6 m -78.31 -42.62 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.482 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 22.6 tttp -156.22 170.33 22.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.754 HG23 ' CD2' ' A' ' 102' ' ' TYR . 18.5 mt -142.0 135.91 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -139.19 146.3 40.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -57.3 -47.76 80.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.68 -32.91 74.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.797 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 9.6 p-80 -170.02 163.9 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.754 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.3 m-85 -110.61 152.46 26.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 96' ' ' LYS . 27.4 mt -108.22 115.34 29.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -122.15 136.4 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -100.98 103.25 14.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.554 HG11 ' HB3' ' A' ' 87' ' ' LEU . 45.6 t -108.83 129.94 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 49.48 31.83 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.16 34.19 42.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.442 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -141.57 136.38 31.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -82.2 123.33 28.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.472 ' HB3' ' CD1' ' A' ' 135' ' ' LEU . 93.7 m95 -117.97 174.5 6.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.6 mp -116.14 94.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -110.63 163.14 14.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.534 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.7 p90 -137.49 121.47 17.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.8 m -131.87 110.77 11.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -45.72 -32.0 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.42 112.5 10.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -51.53 111.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.464 HD13 HG11 ' A' ' 125' ' ' VAL . 53.6 mt -87.45 -175.77 5.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.952 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.434 ' O ' HG11 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -142.59 151.78 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 30.6 mt -59.62 136.62 58.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.35 1.9 88.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.71 ' HB3' HG21 ' A' ' 94' ' ' VAL . 25.8 t0 -74.89 175.34 8.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -121.18 131.46 54.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.464 HG11 HD13 ' A' ' 119' ' ' LEU . 21.9 m -140.71 134.39 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.46 ' HB2' HG22 ' A' ' 91' ' ' VAL . 25.4 ttm -103.53 149.6 24.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.436 ' N ' ' HG2' ' A' ' 126' ' ' MET . 69.9 t -82.07 122.34 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.712 HG12 ' O ' ' A' ' 136' ' ' LYS . 14.6 p -98.48 -27.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -157.42 146.01 19.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.685 HG22 HD23 ' A' ' 135' ' ' LEU . 43.1 t -127.41 121.02 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -108.56 25.63 11.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.415 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 118.04 -102.55 0.98 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.43 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.6 tp -86.12 -10.43 54.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.883 0.373 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -115.63 138.89 50.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.685 HD23 HG22 ' A' ' 130' ' ' VAL . 0.2 OUTLIER -131.52 105.78 7.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.712 ' O ' HG12 ' A' ' 128' ' ' VAL . 7.6 tmtm? -55.87 108.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 135' ' ' LEU . 6.2 m -104.26 149.5 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -123.69 152.43 42.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -67.38 119.28 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.461 HD11 HG13 ' A' ' 91' ' ' VAL . 12.2 pt -127.26 140.69 38.6 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 111.097 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.92 58.45 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.721 2.281 . . . . 0.0 112.306 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . 0.419 ' HG2' ' C ' ' A' ' 145' ' ' GLU . 53.6 Cg_endo -69.83 128.18 15.6 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.334 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -45.2 -34.01 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.9 mt -85.64 37.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.419 ' C ' ' HG2' ' A' ' 142' ' ' PRO . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.783 0.325 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 74' ' ' GLU . 4.7 mpt_? -48.31 -48.02 36.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 73' ' ' ARG . 1.7 tt0 -33.61 149.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 75' ' ' THR . 15.1 t -92.19 55.01 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.6 m -79.73 -40.55 28.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -74.33 139.87 44.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.475 ' H ' HD12 ' A' ' 78' ' ' ILE . 4.3 mp -61.75 -48.52 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 68.68 108.82 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.418 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.72 -117.56 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 100.32 124.52 5.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.502 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -85.86 39.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -119.82 114.89 22.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.0 t -122.48 -10.69 8.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.096 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.512 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.3 t80 47.18 40.74 10.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 87' ' ' LEU . 22.2 mt-10 -123.89 -26.14 4.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.704 HD21 ' CZ2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -35.96 -34.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -50.06 98.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.22 -29.81 7.13 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.533 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -73.55 167.48 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 125' ' ' VAL . 66.2 t -106.96 138.4 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.38 157.48 18.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -103.03 121.26 42.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 123' ' ' ASP . 4.5 m -65.85 88.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.2 m -66.81 -32.5 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.473 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 41.5 tttt -155.57 165.92 35.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.675 HG23 ' CD2' ' A' ' 102' ' ' TYR . 21.2 mt -137.9 137.62 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -146.15 134.6 21.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -44.6 -52.99 7.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.7 -39.99 74.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.631 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 40.3 p-80 -168.44 162.35 12.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.675 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.0 OUTLIER -108.97 143.87 37.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.11 109.31 22.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.439 HG21 ' HB3' ' A' ' 113' ' ' ALA . 1.2 t -116.96 129.16 73.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -94.82 105.31 17.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.459 HG11 ' HB3' ' A' ' 87' ' ' LEU . 23.2 t -110.71 125.02 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 57.65 30.05 18.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.53 27.35 57.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.454 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -141.49 127.92 20.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -65.64 142.55 58.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.704 ' CZ2' HD21 ' A' ' 87' ' ' LEU . 89.2 m95 -133.95 172.78 12.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 112' ' ' ILE . 5.1 mp -114.8 93.56 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -112.18 150.39 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.482 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 1.7 p90 -122.13 121.7 37.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.0 m -127.61 107.66 10.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -54.36 -28.89 46.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -81.09 111.03 17.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.4 113.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 76.1 mt -91.92 163.14 14.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.48 134.74 54.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.473 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 10.3 mt -53.56 121.6 8.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.588 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 96.57 5.5 58.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.531 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.646 ' O ' HG22 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -80.35 146.26 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.861 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.469 ' HG2' HG11 ' A' ' 91' ' ' VAL . 19.6 ttt180 -92.91 120.08 32.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.737 ' O ' HG13 ' A' ' 91' ' ' VAL . 15.8 m -124.6 160.85 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 43.3 ttm -125.58 131.21 52.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.72 HG13 ' HB2' ' A' ' 135' ' ' LEU . 59.5 t -67.0 126.87 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.73 -32.59 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -146.81 144.97 29.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.794 HG22 ' HB3' ' A' ' 135' ' ' LEU . 11.9 t -133.63 119.23 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -103.63 28.6 6.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.497 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 110.69 -107.73 2.29 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.461 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.2 tp -83.22 20.16 1.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.928 0.394 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.688 ' C ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -159.66 138.39 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.877 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -142.32 148.02 37.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 137' ' ' VAL . 9.6 tmtt? -84.79 140.29 31.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.467 ' N ' ' HD3' ' A' ' 136' ' ' LYS . 17.1 m -121.29 145.21 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -115.38 129.43 56.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -59.56 121.18 10.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 46.9 pt -127.03 138.31 32.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 167.18 25.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 174.4 9.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -98.59 -25.78 14.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.6 mt -85.86 36.68 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' A' ' 73' ' ' ARG . 1.8 mpp_? -84.46 6.53 23.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -40.03 111.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.5 m -81.01 114.64 20.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.1 m -134.95 101.41 4.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -93.96 121.53 35.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 72.4 mt -90.46 -57.5 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.82 -134.38 6.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.8 114.32 3.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.84 -157.13 15.79 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.451 ' O ' ' CH2' ' A' ' 111' ' ' TRP . 5.3 mtpp -99.18 -8.11 25.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.827 0.346 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.517 ' CD1' ' N ' ' A' ' 83' ' ' TYR . 2.2 m-30 -96.24 97.2 9.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.7 t -115.67 -12.78 11.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.178 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.516 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.7 t80 49.89 42.86 24.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 87' ' ' LEU . 10.4 mm-40 -124.91 -24.61 4.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.651 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -34.42 -41.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' HA ' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -45.85 114.74 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.85 -33.95 6.17 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -72.43 168.07 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 125' ' ' VAL . 44.0 t -112.01 138.62 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.4 171.22 16.57 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HD2' ' C ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -117.28 126.68 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.326 . . . . 0.0 110.953 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.768 HG22 ' O ' ' A' ' 123' ' ' ASP . 4.2 m -68.18 102.22 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.4 m -81.86 -24.22 9.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.861 ' HA ' HD21 ' A' ' 121' ' ' LEU . 27.2 tttp -166.63 152.35 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.475 HG23 ' CD2' ' A' ' 102' ' ' TYR . 4.6 mp -123.99 138.66 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.794 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -144.65 133.1 21.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -46.22 -50.24 16.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -60.89 -38.01 84.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.794 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 32.4 p-80 -168.51 156.76 8.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.58 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.2 m-85 -102.47 149.44 24.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.588 HD12 ' HB3' ' A' ' 96' ' ' LYS . 18.0 mt -104.0 102.89 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -112.12 118.65 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -85.76 111.89 20.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 62.3 t -113.26 132.69 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 45.03 32.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.16 32.69 47.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.445 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 3.0 m-20 -145.65 117.61 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -64.25 141.66 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.718 ' CG ' HD11 ' A' ' 135' ' ' LEU . 95.7 m95 -131.13 173.44 11.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.952 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.483 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.4 mp -114.08 93.14 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -124.16 163.59 21.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.58 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 5.2 p90 -138.19 135.32 35.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.5 m -130.63 114.38 15.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.24 -27.82 1.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -79.76 116.8 20.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -53.34 98.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.9 mt -77.81 168.37 20.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 m -128.44 140.16 51.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.861 HD21 ' HA ' ' A' ' 96' ' ' LYS . 16.7 mt -53.0 120.73 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.596 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 98.79 7.32 55.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.768 ' O ' HG22 ' A' ' 94' ' ' VAL . 1.0 OUTLIER -91.29 134.88 34.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 110.864 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -80.61 141.95 34.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 91' ' ' VAL . 31.9 m -145.96 154.96 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 33.0 ttm -121.85 143.46 49.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.402 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 61.6 t -76.21 117.56 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 136' ' ' LYS . 8.6 p -93.57 -26.44 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -156.58 162.32 39.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.668 HG12 ' H ' ' A' ' 132' ' ' GLY . 79.3 t -144.87 144.89 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -127.64 19.49 6.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.668 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 120.87 -81.76 0.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.44 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.8 tp -101.95 -6.9 22.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.921 0.391 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.44 145.58 37.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.718 HD11 ' CG ' ' A' ' 111' ' ' TRP . 0.3 OUTLIER -135.01 91.51 2.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.563 ' O ' HG12 ' A' ' 128' ' ' VAL . 16.4 tttp -53.04 103.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 135' ' ' LEU . 16.4 m -101.0 155.22 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.123 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -138.03 145.8 42.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.431 ' NH1' ' O ' ' A' ' 140' ' ' ILE . 26.0 tpt85 -57.99 127.08 30.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.431 ' O ' ' NH1' ' A' ' 139' ' ' ARG . 36.6 pt -124.68 139.11 32.52 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.628 0.728 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 147.92 63.71 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -175.27 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -107.07 -28.58 9.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.7 34.78 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.923 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.792 0.33 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -45.42 -27.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' N ' ' HG2' ' A' ' 73' ' ' ARG . 43.0 mt-10 -67.25 139.07 57.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 75' ' ' THR . 9.0 t -152.13 116.16 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.6 m -113.33 -41.75 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -128.15 112.95 15.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 65.8 mt -60.36 -45.57 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.3 -73.84 0.43 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.524 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -173.3 98.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.463 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 124.69 141.47 5.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -89.99 36.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -119.15 112.31 19.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.528 HG23 ' H ' ' A' ' 86' ' ' GLU . 9.4 t -107.28 -25.51 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.513 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.2 t80 59.94 38.73 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.528 ' H ' HG23 ' A' ' 84' ' ' THR . 25.4 mm-40 -124.34 -15.74 6.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.651 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -37.22 -35.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.98 109.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.03 -36.96 3.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -61.81 158.14 16.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.652 HG22 ' HB2' ' A' ' 126' ' ' MET . 86.9 t -111.59 129.06 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.3 -162.32 13.5 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -140.72 120.52 13.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.518 HG23 ' H ' ' A' ' 122' ' ' GLY . 9.0 m -58.76 118.99 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 96' ' ' LYS . 33.8 m -98.66 -43.06 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.533 ' HB3' HD12 ' A' ' 103' ' ' LEU . 9.1 ttpt -146.59 155.16 42.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.504 HG23 ' CD2' ' A' ' 102' ' ' TYR . 19.6 mt -124.42 146.94 29.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -159.25 130.98 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.61 -48.61 10.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.92 -36.71 77.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.64 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 56.8 p-80 -173.05 160.62 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.0 OUTLIER -109.46 145.91 35.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 96' ' ' LYS . 26.9 mt -101.23 118.36 36.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.647 HG21 HG11 ' A' ' 137' ' ' VAL . 1.3 t -126.02 120.42 56.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -85.77 106.57 17.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.551 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 38.6 t -105.12 131.22 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 43.6 37.8 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.98 33.47 57.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.525 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 3.8 m-20 -145.92 117.36 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -57.94 147.0 30.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.643 ' CZ2' HD11 ' A' ' 87' ' ' LEU . 96.7 m95 -141.33 174.24 10.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.489 HD12 ' CD2' ' A' ' 101' ' ' HIS . 44.4 mm -118.94 100.01 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.453 ' CB ' HG13 ' A' ' 137' ' ' VAL . . . -120.26 158.68 26.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.568 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.1 p90 -131.18 126.09 34.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.8 t -119.96 131.95 55.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -66.82 -25.09 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 118' ' ' LYS . 12.4 pt-20 -101.71 114.27 28.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 117' ' ' GLU . 39.6 mtmt -37.1 113.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.2 mt -81.85 -175.17 5.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.448 ' O ' HG21 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -124.51 -174.81 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.419 HD22 ' O ' ' A' ' 95' ' ' VAL . 78.3 mt -108.59 119.59 39.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.518 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 93.23 -1.07 69.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.553 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.472 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 4.6 t70 -73.79 165.91 24.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -104.47 125.33 50.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.2 m -131.92 159.16 43.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.652 ' HB2' HG22 ' A' ' 91' ' ' VAL . 35.0 ttm -126.87 145.26 50.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.606 HG13 ' HB2' ' A' ' 135' ' ' LEU . 59.4 t -69.2 109.39 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.62 HG21 ' HE3' ' A' ' 138' ' ' LYS . 13.2 p -77.81 -36.66 22.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -160.54 142.47 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.477 HG22 ' H ' ' A' ' 132' ' ' GLY . 7.9 p -149.46 137.58 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -124.8 11.07 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.477 ' H ' HG22 ' A' ' 130' ' ' VAL . . . 168.22 -96.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.753 ' O ' HD23 ' A' ' 133' ' ' LEU . 1.9 tt -108.75 3.95 23.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -116.24 100.46 7.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.815 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -107.15 79.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 135' ' ' LEU . 47.5 tttm -33.48 126.28 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.647 HG11 HG21 ' A' ' 104' ' ' VAL . 35.0 m -106.61 141.59 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.62 ' HE3' HG21 ' A' ' 128' ' ' VAL . 4.2 mtmp? -128.66 141.41 51.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -63.82 118.82 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 18.4 pt -120.12 138.23 26.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.642 0.734 . . . . 0.0 111.127 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 149.73 67.52 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.398 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . 0.517 ' HB2' HD23 ' A' ' 144' ' ' LEU . 53.9 Cg_endo -69.79 -165.86 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.688 2.258 . . . . 0.0 112.365 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -117.48 -28.96 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' ' 142' ' ' PRO . 1.3 pt? -75.41 -13.01 60.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.0 mtt-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -91.04 -41.11 11.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -150.35 152.2 34.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.3 t -84.61 27.34 0.73 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.497 ' O ' HG22 ' A' ' 76' ' ' THR . 18.7 m 58.38 47.77 13.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -145.16 129.48 17.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.6 mt -44.62 -53.73 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 48.69 43.94 29.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -139.39 -138.62 3.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.469 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -82.36 162.61 42.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.429 ' CD ' ' HG ' ' A' ' 133' ' ' LEU . 16.1 mtpp -95.84 -42.12 8.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.446 ' CD1' ' N ' ' A' ' 83' ' ' TYR . 0.9 OUTLIER -131.07 -57.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.558 HG23 ' H ' ' A' ' 86' ' ' GLU . 11.2 t -132.74 -32.14 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.527 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 3.2 t80 50.02 46.25 24.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.558 ' H ' HG23 ' A' ' 84' ' ' THR . 52.0 mt-10 -124.97 -22.46 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.636 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -33.8 -38.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 86' ' ' GLU . 8.4 tptm -43.32 106.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.52 -36.04 4.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.67 151.72 41.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.468 HG21 HD11 ' A' ' 140' ' ' ILE . 9.5 p -108.66 138.5 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.11 178.49 17.5 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -114.02 132.5 55.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 123' ' ' ASP . 3.1 m -69.88 93.56 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.99 -37.57 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.602 ' HB3' HD12 ' A' ' 103' ' ' LEU . 19.8 tttm -153.37 151.13 29.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.622 HG23 ' CD2' ' A' ' 102' ' ' TYR . 21.9 mt -123.52 140.08 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -151.37 131.73 13.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -44.26 -50.98 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.66 -37.88 76.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.652 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 38.0 p-80 -169.16 157.39 7.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.622 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -109.42 141.58 41.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.602 HD12 ' HB3' ' A' ' 96' ' ' LYS . 37.0 mt -99.39 106.32 18.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.535 HG21 HG11 ' A' ' 137' ' ' VAL . 1.5 t -114.6 120.29 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.41 117.1 22.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.517 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 46.2 t -126.26 127.33 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 53.03 37.92 25.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.73 29.27 71.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.41 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 2.5 m-20 -144.11 113.8 7.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -59.91 138.38 57.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.558 ' CE3' HD21 ' A' ' 135' ' ' LEU . 91.9 m95 -126.01 170.58 11.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.415 HG23 ' HB2' ' A' ' 101' ' ' HIS . 18.4 mt -115.22 94.74 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -111.18 161.33 16.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.518 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.2 p90 -131.46 121.63 24.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.967 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.7 t -125.74 119.97 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -59.59 -23.48 62.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -86.88 114.74 23.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -50.19 101.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.4 mt -78.28 178.36 7.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.79 136.31 47.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 17.6 mt -48.53 120.35 3.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.585 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 96.59 4.81 59.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.693 ' O ' HG22 ' A' ' 94' ' ' VAL . 48.0 m-20 -79.61 133.43 36.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -78.88 124.26 28.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.527 HG12 ' HA ' ' A' ' 139' ' ' ARG . 21.2 m -133.47 142.2 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 36.3 ttp -109.34 142.2 40.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.613 HG13 ' HB2' ' A' ' 135' ' ' LEU . 40.8 t -67.45 118.07 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.432 ' CG1' ' HB2' ' A' ' 136' ' ' LYS . 14.6 p -89.21 -20.87 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -172.67 149.44 2.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.545 HG12 ' H ' ' A' ' 132' ' ' GLY . 62.6 t -122.74 136.99 57.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.9 23.33 6.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.545 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 106.51 -100.14 1.58 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.429 ' HG ' ' CD ' ' A' ' 82' ' ' LYS . 8.1 mt -91.4 29.32 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 110.93 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.421 ' C ' HD23 ' A' ' 135' ' ' LEU . 8.5 pttm -169.21 135.41 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.613 ' HB2' HG13 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -140.32 131.47 26.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.432 ' HB2' ' CG1' ' A' ' 128' ' ' VAL . 23.6 mtpp -69.61 133.0 47.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.535 HG11 HG21 ' A' ' 104' ' ' VAL . 35.2 m -118.57 129.43 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -107.93 132.5 53.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.527 ' HA ' HG12 ' A' ' 125' ' ' VAL . 3.3 tpp85 -60.14 122.15 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.468 HD11 HG21 ' A' ' 91' ' ' VAL . 30.6 pt -127.1 140.37 37.64 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.633 0.73 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 132.77 23.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.64 2.227 . . . . 0.0 112.317 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 177.0 6.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.236 . . . . 0.0 112.35 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -121.15 45.07 2.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 3.0 pp -120.86 25.23 9.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.747 0.308 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 -64.56 -7.82 11.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -51.36 122.8 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.8 m -138.3 120.73 16.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.4 p -104.13 -46.51 4.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 t70 39.85 37.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.1 pt -44.21 -30.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.85 -46.68 2.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 178.97 115.03 0.44 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.516 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.13 160.36 32.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -93.91 -7.48 42.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.774 0.321 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.529 ' OH ' HD11 ' A' ' 133' ' ' LEU . 8.4 m-30 -70.98 112.5 7.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.009 0.433 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.473 HG23 ' H ' ' A' ' 86' ' ' GLU . 9.0 t -124.56 -18.66 5.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.144 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.457 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 56.02 40.43 30.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.473 ' H ' HG23 ' A' ' 84' ' ' THR . 79.7 mm-40 -126.16 -24.96 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.766 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -32.44 -40.36 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.5 OUTLIER -44.4 113.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.15 -35.25 5.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.495 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.3 150.12 43.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.567 HG21 HD11 ' A' ' 140' ' ' ILE . 12.1 p -99.91 138.09 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.98 175.37 16.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -117.3 123.05 45.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.937 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.813 HG22 ' O ' ' A' ' 123' ' ' ASP . 3.3 m -63.92 117.28 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.844 HG23 HD13 ' A' ' 103' ' ' LEU . 27.9 m -101.04 -14.21 8.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.494 ' HA ' HD21 ' A' ' 121' ' ' LEU . 21.4 tptm -163.64 161.98 23.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.553 HG23 ' CZ ' ' A' ' 102' ' ' TYR . 5.3 mp -143.01 138.26 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -150.39 129.5 12.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' ALA . 9.0 tt0 -38.18 -56.72 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -54.66 -42.35 71.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.719 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 10.1 p-80 -168.09 145.92 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.553 ' CZ ' HG23 ' A' ' 97' ' ' ILE . 4.6 m-30 -96.46 163.73 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.844 HD13 HG23 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -116.39 111.63 20.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.503 HG21 HG11 ' A' ' 137' ' ' VAL . 0.5 OUTLIER -119.96 123.58 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -84.34 128.93 34.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.563 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 43.1 t -126.67 131.48 71.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 39.05 41.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.59 32.04 62.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.599 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 64.9 m-20 -142.79 111.72 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.57 ' HD3' HD11 ' A' ' 103' ' ' LEU . 26.4 mttm -57.51 142.54 43.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 109' ' ' ASP . 99.6 m95 -140.07 149.8 43.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.541 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.1 mp -99.14 98.52 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -115.69 166.33 12.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.037 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.464 ' N ' ' CD1' ' A' ' 114' ' ' TYR . 1.5 p90 -139.44 125.22 19.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -126.39 126.6 44.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -53.46 -24.31 12.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 6.6 pt-20 -95.09 115.54 27.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -56.67 117.74 4.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.9 mt -91.64 -176.57 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.93 138.42 46.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.494 HD21 ' HA ' ' A' ' 96' ' ' LYS . 59.4 mt -44.17 117.36 1.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.57 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 100.11 0.29 56.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.813 ' O ' HG22 ' A' ' 94' ' ' VAL . 34.8 m-20 -75.59 132.32 40.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.77 0.319 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 40.7 mtm-85 -81.38 134.57 35.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 139' ' ' ARG . 28.2 m -142.37 146.31 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 14.0 ttm -106.22 131.42 53.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.665 HG13 ' HB2' ' A' ' 135' ' ' LEU . 59.8 t -60.17 108.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.3 -38.96 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -167.15 150.59 6.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.904 HG22 ' HB3' ' A' ' 135' ' ' LEU . 97.8 t -122.59 135.56 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -121.58 -11.82 8.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 157.56 -100.01 0.19 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.529 HD11 ' OH ' ' A' ' 83' ' ' TYR . 4.2 mm? -99.16 17.65 19.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -153.71 106.04 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.904 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -110.91 136.99 49.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -67.53 148.68 51.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.503 HG11 HG21 ' A' ' 104' ' ' VAL . 20.1 m -136.82 133.85 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -124.52 125.26 43.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.59 ' HA ' HG12 ' A' ' 125' ' ' VAL . 14.6 ttt180 -50.81 135.3 24.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.567 HD11 HG21 ' A' ' 91' ' ' VAL . 30.5 pt -126.8 143.95 48.37 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.631 0.729 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 162.25 42.78 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.366 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 173.45 10.96 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -126.09 78.95 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.7 mp 44.12 25.07 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -90.5 -40.8 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -74.14 175.87 7.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.1 p -82.8 47.26 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.0 m -88.62 -52.56 5.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.204 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 2.0 t0 -75.12 111.98 10.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.6 ' H ' HD12 ' A' ' 78' ' ' ILE . 5.2 mp -60.2 -44.68 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.21 48.84 80.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 174.25 52.8 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 56.37 -124.58 35.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -107.39 2.42 24.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.5 m-30 -79.42 109.93 14.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.494 HG23 ' H ' ' A' ' 86' ' ' GLU . 10.1 t -124.77 -17.85 5.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.5 t80 51.73 39.19 24.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.494 ' H ' HG23 ' A' ' 84' ' ' THR . 44.2 mt-10 -123.64 -20.28 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.688 HD11 ' CZ2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -33.93 -39.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.933 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HA ' ' CG1' ' A' ' 127' ' ' VAL . 5.8 ttpm? -48.28 133.68 15.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.32 -31.0 2.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -75.53 158.55 32.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 125' ' ' VAL . 7.7 p -111.17 136.93 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.24 -178.37 15.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -122.87 115.95 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.508 HG23 ' H ' ' A' ' 122' ' ' GLY . 14.6 m -57.45 114.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.7 m -87.69 -29.99 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.472 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 22.3 tttt -162.83 155.53 19.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.552 HG23 ' CD2' ' A' ' 102' ' ' TYR . 5.1 mp -125.26 143.77 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -141.95 152.83 43.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -63.86 -42.19 97.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -71.99 -31.65 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.632 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 54.1 p-80 -168.02 176.93 5.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.552 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.6 m-85 -120.09 143.49 48.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -101.22 106.88 18.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.7 t -113.1 153.5 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -118.23 115.04 23.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.52 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 63.2 t -120.14 123.33 70.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 48.72 36.88 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.6 37.93 57.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.446 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 27.4 m-20 -145.68 117.56 8.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -63.37 135.95 57.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.688 ' CZ2' HD11 ' A' ' 87' ' ' LEU . 99.4 m95 -131.07 146.43 52.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.499 HD12 ' CD2' ' A' ' 101' ' ' HIS . 41.4 mm -93.22 91.82 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.183 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -109.58 165.73 11.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.465 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.1 p90 -143.08 121.62 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 72.5 m -134.25 144.66 48.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -85.0 -17.9 36.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.23 118.85 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -49.14 97.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.412 HD12 ' HD2' ' A' ' 102' ' ' TYR . 72.5 mt -82.23 172.94 12.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.35 134.5 36.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.472 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 24.8 mt -48.37 118.94 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.508 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 89.46 11.95 63.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.495 ' H ' ' CG2' ' A' ' 94' ' ' VAL . 15.7 t0 -82.62 149.59 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -88.15 130.05 35.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 91' ' ' VAL . 32.7 m -140.66 147.83 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 29.4 ttm -113.0 129.62 56.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 68.9 t -62.7 127.0 22.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 136' ' ' LYS . 5.9 p -91.3 -30.66 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -164.53 155.89 15.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.804 HG22 ' HB3' ' A' ' 135' ' ' LEU . 64.5 t -130.89 111.8 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -95.59 23.15 6.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.567 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 116.6 -97.73 0.77 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.48 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.9 mp -96.54 9.8 40.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -141.19 119.33 12.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.804 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -122.37 128.45 50.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.459 ' O ' HG12 ' A' ' 128' ' ' VAL . 77.6 mttt -74.25 137.34 42.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.7 m -114.24 140.15 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.581 ' O ' HG23 ' A' ' 140' ' ' ILE . 5.5 mtmp? -122.62 118.16 27.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -44.55 130.51 6.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 138' ' ' LYS . 49.6 pt -127.01 139.39 34.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.666 0.746 . . . . 0.0 111.088 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 160.49 49.53 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.367 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -178.57 2.38 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.706 2.271 . . . . 0.0 112.3 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -110.17 39.9 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 68.5 mt -52.06 -39.8 60.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' GLU . 8.3 mtp180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.795 0.331 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -41.62 -24.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 72' ' ' ARG . 11.1 mm-40 -72.22 106.28 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.0 p -131.28 107.06 8.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.8 m -85.8 -50.86 6.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -62.96 127.67 32.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.7 mt -87.53 -57.47 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.163 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.74 82.38 0.97 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.97 118.05 4.43 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.39 103.08 0.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.493 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -101.28 40.43 1.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.794 0.331 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -119.98 118.44 30.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.0 t -109.99 -17.55 13.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.183 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.1 t80 55.11 44.16 28.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 87' ' ' LEU . 75.1 mt-10 -125.88 -26.31 3.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.665 ' H ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -32.79 -41.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.483 ' CE ' ' HA ' ' A' ' 129' ' ' ASP . 5.7 tppt? -43.74 103.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.22 -34.84 5.44 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -63.93 143.53 57.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.1 t -100.92 132.75 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -126.34 -160.19 10.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.533 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -131.32 151.27 51.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.967 HG22 ' O ' ' A' ' 123' ' ' ASP . 15.6 m -87.29 99.64 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.185 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.754 HG21 ' CD ' ' A' ' 110' ' ' LYS . 23.2 m -76.78 -18.71 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 27.1 tptt -173.95 153.04 2.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.961 HG23 ' CD2' ' A' ' 102' ' ' TYR . 17.9 mt -129.38 140.26 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -157.36 130.77 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -44.29 -48.93 9.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -58.25 -35.74 72.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.555 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 40.0 p-80 -174.4 154.49 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.961 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -113.63 142.36 46.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.439 ' HB3' ' CG2' ' A' ' 95' ' ' VAL . 4.4 mm? -102.62 109.26 20.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.463 HG21 HG11 ' A' ' 137' ' ' VAL . 1.4 t -114.84 115.61 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -75.37 104.99 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.498 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 26.3 t -115.15 121.67 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 58.19 31.7 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.53 27.72 56.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.4 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 29.1 m-20 -145.04 115.7 7.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.754 ' CD ' HG21 ' A' ' 95' ' ' VAL . 25.3 mtmm -68.06 119.74 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.554 ' HB3' HD21 ' A' ' 135' ' ' LEU . 85.6 m95 -103.64 171.54 7.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.5 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.4 mp -111.23 92.68 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -117.17 166.41 12.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.573 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 0.2 OUTLIER -133.16 131.81 40.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.4 m -131.35 107.95 9.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -48.57 -26.21 2.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -85.15 114.02 21.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -48.06 115.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.4 mt -90.48 171.68 9.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.606 ' O ' HG21 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -118.02 135.01 54.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 62.6 mt -56.51 126.29 25.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.622 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 92.31 -0.04 71.11 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.967 ' O ' HG22 ' A' ' 94' ' ' VAL . 10.5 t70 -84.67 146.63 27.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.347 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.06 154.5 18.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.48 ' CG2' ' HB ' ' A' ' 137' ' ' VAL . 34.6 m -154.01 157.17 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ttp -113.0 138.29 50.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.669 HG13 ' HB2' ' A' ' 135' ' ' LEU . 69.9 t -73.29 105.33 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.56 HG21 ' HG3' ' A' ' 138' ' ' LYS . 3.2 t -67.21 -41.68 87.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.483 ' HA ' ' CE ' ' A' ' 88' ' ' LYS . 35.5 t0 -159.46 149.22 18.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.9 HG22 ' HB3' ' A' ' 135' ' ' LEU . 99.1 t -120.13 116.5 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -105.12 45.49 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 106.59 -113.3 4.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.436 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.26 1.71 43.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.743 ' C ' HD23 ' A' ' 135' ' ' LEU . 10.2 mmtp -119.46 161.85 19.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.9 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -160.13 107.74 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -58.37 129.2 40.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.48 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 26.9 m -114.96 135.46 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.56 ' HG3' HG21 ' A' ' 128' ' ' VAL . 19.0 mttm -114.41 133.49 55.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.42 ' HA ' HG12 ' A' ' 125' ' ' VAL . 15.9 tpt85 -62.03 122.81 16.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 34.0 pt -123.37 139.28 31.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 161.15 47.05 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 140.79 43.43 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -91.2 30.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 144' ' ' LEU . 1.9 pp -56.37 -22.63 32.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.771 0.319 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -64.27 -46.81 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -42.36 162.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 75' ' ' THR . 5.0 t -57.72 112.16 1.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 28.9 m -153.08 110.66 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.07 151.45 40.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.0 pt -54.55 -34.73 29.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.1 -45.14 2.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.444 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 175.94 -72.9 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 173.83 -167.55 40.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.5 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 4.9 ptpp? -88.31 33.22 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.5 ' CE1' ' HG3' ' A' ' 82' ' ' LYS . 2.5 m-85 -117.75 112.47 20.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.2 t -114.25 -13.83 12.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.504 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.8 t80 50.67 41.31 25.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.48 ' O ' ' C ' ' A' ' 87' ' ' LEU . 7.2 mm-40 -126.12 -22.98 3.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.688 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -31.42 -44.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -58.62 95.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.02 -31.22 3.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.497 ' HD2' ' CG1' ' A' ' 106' ' ' VAL . 0.5 OUTLIER -90.22 158.89 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.958 HG21 HD11 ' A' ' 140' ' ' ILE . 5.7 p -110.91 139.1 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -126.37 -166.28 12.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -126.09 135.97 52.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.653 HG21 ' HB2' ' A' ' 123' ' ' ASP . 1.3 m -74.79 118.14 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.545 HG21 ' HE3' ' A' ' 110' ' ' LYS . 27.1 m -86.16 -30.54 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.489 ' HA ' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -164.37 153.44 13.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.649 HG23 ' CD2' ' A' ' 102' ' ' TYR . 3.9 mp -124.32 143.93 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -148.61 137.3 21.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -47.72 -51.3 22.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.63 -38.58 81.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.693 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 48.4 p-80 -167.68 163.04 14.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.649 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -109.43 147.24 33.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 103' ' ' LEU . 4.0 mm? -106.05 107.66 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.427 HG21 HG11 ' A' ' 137' ' ' VAL . 1.7 t -112.41 143.63 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -110.18 100.53 9.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.497 ' CG1' ' HD2' ' A' ' 90' ' ' LYS . 21.0 t -107.04 130.76 58.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 46.06 44.73 11.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 63.37 37.76 95.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -144.98 128.94 17.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.545 ' HE3' HG21 ' A' ' 95' ' ' VAL . 23.2 mtpt -73.35 136.9 44.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.585 ' CE3' HD21 ' A' ' 135' ' ' LEU . 99.5 m95 -133.6 158.51 43.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 34.9 mm -106.59 90.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -106.48 160.62 15.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.516 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 1.8 p90 -132.83 121.66 23.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.1 t -128.97 118.29 22.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -53.56 -27.75 27.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -83.91 115.0 22.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 pttm -51.99 120.82 5.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.8 mt -99.55 178.94 4.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.421 ' N ' ' OD2' ' A' ' 123' ' ' ASP . 1.2 m -139.08 133.12 31.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.508 HD12 ' CD1' ' A' ' 97' ' ' ILE . 9.9 mp -39.21 124.03 1.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.456 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 96.84 -5.88 64.21 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.43 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.653 ' HB2' HG21 ' A' ' 94' ' ' VAL . 24.4 m-20 -66.17 143.03 57.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.455 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 14.7 tpp180 -91.55 130.58 37.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.737 ' O ' HG23 ' A' ' 91' ' ' VAL . 23.3 m -143.5 146.77 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 19.3 ttm -113.12 122.68 48.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.547 HG13 ' HB2' ' A' ' 135' ' ' LEU . 9.9 t -49.27 131.55 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 136' ' ' LYS . 7.3 p -113.9 -15.47 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -160.62 156.7 26.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.715 HG22 ' HB3' ' A' ' 135' ' ' LEU . 54.1 t -140.89 108.7 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -94.5 27.39 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.485 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 96.01 -85.74 0.91 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.543 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.7 tp -86.77 -0.68 56.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.95 0.405 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.791 ' C ' HD23 ' A' ' 135' ' ' LEU . 47.0 mtmt -140.54 170.82 15.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.791 HD23 ' C ' ' A' ' 134' ' ' LYS . 0.2 OUTLIER -168.53 126.69 1.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.492 ' HB3' ' CG1' ' A' ' 128' ' ' VAL . 4.2 mmmm -59.06 170.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.427 HG11 HG21 ' A' ' 104' ' ' VAL . 33.5 m -151.58 135.5 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 140' ' ' ILE . 63.1 mttt -112.18 124.64 52.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.596 ' HA ' HG12 ' A' ' 125' ' ' VAL . 3.8 tpp85 -57.54 120.11 7.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.958 HD11 HG21 ' A' ' 91' ' ' VAL . 37.4 pt -126.64 140.6 37.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 144.16 53.57 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.365 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . 0.842 ' HB2' HD23 ' A' ' 144' ' ' LEU . 53.2 Cg_endo -69.79 145.19 56.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.633 2.222 . . . . 0.0 112.341 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -75.69 -10.85 59.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.842 HD23 ' HB2' ' A' ' 142' ' ' PRO . 0.6 OUTLIER -97.36 20.67 11.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.606 ' O ' HG23 ' A' ' 75' ' ' THR . 80.7 mtm180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.851 0.357 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -90.16 6.09 44.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -114.23 30.65 7.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 72' ' ' ARG . 24.3 p -75.88 101.83 5.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 31.0 p -117.02 87.08 2.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -81.17 145.03 31.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.49 -56.36 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 60.48 45.4 96.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 168.73 77.37 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.54 138.4 10.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -84.94 31.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.727 0.299 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -116.61 123.45 47.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -133.14 -32.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.425 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 66.49 43.27 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 87' ' ' LEU . 16.7 pt-20 -124.9 -29.58 3.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.687 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -31.26 -44.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.58 110.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.24 -36.09 4.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -65.14 159.15 24.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.3 t -104.79 134.02 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.91 160.45 17.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -109.28 125.97 52.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 123' ' ' ASP . 3.2 m -66.69 120.55 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.5 m -98.63 -20.38 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.169 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 97' ' ' ILE . 11.8 tmtt? -174.06 147.94 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.543 HG23 ' CD2' ' A' ' 102' ' ' TYR . 3.8 mp -117.22 147.25 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -153.16 131.04 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -43.02 -52.79 5.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -56.74 -38.17 72.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.713 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 57.1 p-80 -173.47 159.36 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.543 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.3 m-85 -102.4 148.98 24.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 103' ' ' LEU . 3.6 mm? -106.29 105.58 15.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 111' ' ' TRP . 1.1 t -112.9 129.96 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -94.41 104.55 16.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.489 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 21.3 t -106.16 130.42 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 47.48 36.42 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.8 30.17 60.05 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.548 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -145.65 118.04 8.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -58.73 149.28 26.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.609 ' CZ2' HD11 ' A' ' 87' ' ' LEU . 82.0 m95 -137.07 178.09 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.542 HD12 ' CD2' ' A' ' 101' ' ' HIS . 50.3 mm -121.75 99.32 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.762 ' HB2' HD22 ' A' ' 135' ' ' LEU . . . -124.8 160.83 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.5 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 5.6 p90 -133.18 122.03 23.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.0 t -130.52 142.1 50.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.97 -18.71 42.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.82 119.14 19.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -49.47 100.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 102' ' ' TYR . 42.3 mt -87.09 164.62 16.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 m -139.74 133.28 30.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.1 mp -42.81 112.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.597 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 109.14 0.73 31.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.714 ' O ' HG22 ' A' ' 94' ' ' VAL . 3.1 t70 -80.33 143.19 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.835 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -91.3 124.97 35.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.68 149.37 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.415 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 32.4 ttm -111.73 150.48 30.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.661 HG13 ' HB2' ' A' ' 135' ' ' LEU . 59.3 t -78.21 100.68 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.71 HG21 ' HG3' ' A' ' 138' ' ' LYS . 2.1 t -64.38 -39.11 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -165.08 154.95 13.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.6 p -157.69 127.25 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -103.66 -27.5 12.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.91 -93.38 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.0 tp -108.28 28.16 8.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -140.66 105.12 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.893 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -109.26 85.47 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.498 ' O ' HG23 ' A' ' 128' ' ' VAL . 4.4 mtpt -38.67 112.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 135' ' ' LEU . 16.4 m -107.68 129.47 61.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.71 ' HG3' HG21 ' A' ' 128' ' ' VAL . 19.8 mtmm -127.54 151.37 48.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -56.43 132.38 51.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.2 pt -125.98 140.13 36.04 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.624 0.726 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 147.63 63.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 176.92 6.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.258 . . . . 0.0 112.322 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -83.3 -40.1 19.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 145' ' ' GLU . 26.8 mt -41.64 -32.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 144' ' ' LEU . 20.7 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 73' ' ' ARG . 20.6 mtm-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 72' ' ' ARG . 30.9 ptt-85 -36.65 -50.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -142.32 140.3 32.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.2 p -47.98 107.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.0 m -100.84 47.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.165 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -121.54 44.72 2.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 9.6 mm -58.63 -53.98 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.7 64.5 3.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -109.31 -99.09 2.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -152.88 -129.36 1.41 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.576 ' HB3' ' CZ2' ' A' ' 111' ' ' TRP . 7.6 mttm -106.2 -15.27 14.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -83.03 21.08 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.8 t -68.51 -12.62 61.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.543 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.4 t80 57.16 41.67 26.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 87' ' ' LEU . 5.7 mm-40 -120.18 -22.93 6.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.651 ' H ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -36.75 -37.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 129.51 42.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.82 -29.47 6.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -71.59 168.05 18.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.445 ' CG1' ' HG2' ' A' ' 124' ' ' ARG . 56.0 t -119.22 124.57 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -118.01 -170.17 14.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.451 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -134.93 128.75 33.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.69 HG21 ' O ' ' A' ' 120' ' ' SER . 4.4 m -58.3 128.85 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.507 HG23 HD23 ' A' ' 103' ' ' LEU . 27.7 m -111.82 -11.28 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 103' ' ' LEU . 10.3 ttpp -173.67 150.67 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.586 HG23 ' CD2' ' A' ' 102' ' ' TYR . 5.2 mp -130.26 140.59 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -153.88 130.84 10.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -43.44 -50.88 6.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.64 -38.13 80.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.713 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 48.6 p-80 -168.55 157.8 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.586 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -108.42 146.62 32.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.57 HD21 ' HD3' ' A' ' 110' ' ' LYS . 8.8 tp -103.11 103.46 13.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.709 HG11 HG11 ' A' ' 137' ' ' VAL . 2.3 t -110.17 125.32 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -91.35 105.42 17.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.543 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 70.7 t -106.47 126.49 62.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 50.66 39.62 22.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.95 34.24 65.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.42 ' CG ' ' HG2' ' A' ' 82' ' ' LYS . 53.0 m-20 -145.7 121.72 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.872 0.368 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.57 ' HD3' HD21 ' A' ' 103' ' ' LEU . 54.7 mttt -63.76 143.03 58.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.631 ' CB ' HD11 ' A' ' 135' ' ' LEU . 96.9 m95 -136.19 166.11 24.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.444 HD13 HD12 ' A' ' 133' ' ' LEU . 4.3 mp -111.18 89.85 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -114.88 166.58 11.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.584 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.0 p90 -138.67 130.59 28.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.9 t -121.41 131.1 53.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -27.93 69.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 118' ' ' LYS . 13.7 pt-20 -100.05 110.91 23.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' GLU . 0.3 OUTLIER -35.98 133.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.9 mt -105.99 168.9 8.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.69 ' O ' HG21 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -123.55 143.99 49.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.813 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 96' ' ' LYS . 50.3 mt -60.99 125.45 23.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.611 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 97.22 3.91 58.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.686 ' O ' HG22 ' A' ' 94' ' ' VAL . 42.1 m-20 -87.19 131.63 34.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.788 0.328 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.445 ' HG2' ' CG1' ' A' ' 91' ' ' VAL . 18.2 ttt180 -80.51 130.86 35.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 139' ' ' ARG . 22.5 m -133.89 152.8 35.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 28.7 ttm -118.76 126.45 51.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.493 HG13 ' HB2' ' A' ' 135' ' ' LEU . 46.2 t -54.98 124.56 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.471 HG21 ' HE2' ' A' ' 138' ' ' LYS . 14.3 p -93.23 -33.33 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -156.86 145.51 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 1.0 HG22 ' HB3' ' A' ' 135' ' ' LEU . 74.2 t -128.36 137.02 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -119.57 -7.86 10.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 146.34 -100.82 0.23 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.505 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 133' ' ' LEU . 0.2 OUTLIER -79.0 -1.2 34.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.941 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.433 ' HD2' ' C ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -131.24 163.21 28.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 1.0 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.3 OUTLIER -165.71 107.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.413 ' HB3' ' CG1' ' A' ' 128' ' ' VAL . 25.9 ttmt -54.39 141.26 31.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.709 HG11 HG11 ' A' ' 104' ' ' VAL . 28.2 m -120.78 141.23 42.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.471 ' HE2' HG21 ' A' ' 128' ' ' VAL . 45.8 mttm -117.15 125.59 51.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.42 ' HA ' HG12 ' A' ' 125' ' ' VAL . 3.1 tpp85 -58.76 122.06 12.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 30.5 pt -124.76 139.95 34.49 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.638 0.733 . . . . 0.0 111.084 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 167.46 24.38 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.291 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 175.29 8.33 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 2.273 . . . . 0.0 112.328 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -96.76 -30.65 13.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.418 ' H ' HD23 ' A' ' 144' ' ' LEU . 0.4 OUTLIER -44.08 -24.62 0.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.888 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.807 0.337 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -45.42 -42.18 10.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -131.14 141.04 50.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 t -101.16 125.21 47.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 77' ' ' ASP . 7.9 m -89.5 -45.22 9.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 76' ' ' THR . 37.4 m-20 -34.49 133.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.7 mt -61.08 -55.35 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 107.81 96.9 2.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -106.08 136.03 13.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.07 161.72 11.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -84.53 29.44 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.489 ' CD1' HD21 ' A' ' 133' ' ' LEU . 3.1 m-30 -113.4 97.52 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.9 t -100.21 -9.48 22.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.472 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.1 t80 42.47 44.87 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -125.73 -12.66 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.666 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -43.3 -37.15 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -45.97 113.79 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.48 -34.99 5.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -74.96 155.67 37.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 125' ' ' VAL . 8.9 p -115.81 137.65 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -120.13 -166.04 13.08 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.51 125.03 39.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.75 HG22 ' O ' ' A' ' 123' ' ' ASP . 3.5 m -63.03 100.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.4 m -79.44 -26.76 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.589 ' HA ' HD21 ' A' ' 121' ' ' LEU . 27.0 tttp -167.52 154.34 8.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.566 HG23 ' CD2' ' A' ' 102' ' ' TYR . 4.3 mp -125.03 137.49 57.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -144.79 131.15 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.089 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -43.73 -52.54 6.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.85 -39.03 76.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.772 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 48.5 p-80 -169.42 152.79 4.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.5 m-85 -99.81 145.74 27.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 103' ' ' LEU . 3.4 mm? -102.81 103.49 13.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.526 HG11 HG11 ' A' ' 137' ' ' VAL . 1.4 t -111.75 127.53 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -90.12 106.1 18.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.544 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 48.0 t -107.65 114.64 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 62.11 31.78 17.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 76.89 33.01 47.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.442 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 37.2 m-20 -145.75 116.12 7.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -58.51 140.71 53.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.605 ' CZ2' HD11 ' A' ' 87' ' ' LEU . 91.6 m95 -130.47 179.25 6.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.57 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.0 mp -122.12 98.31 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -130.56 167.98 17.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.06 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.574 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.4 p90 -131.04 141.48 50.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.1 p -121.16 136.9 54.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -73.0 -20.62 60.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -116.68 111.36 19.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -39.21 101.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.0 mt -68.7 -178.52 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.01 135.04 47.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.589 HD21 ' HA ' ' A' ' 96' ' ' LYS . 13.7 mt -48.3 121.81 4.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.609 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 95.65 4.79 60.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.51 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.75 ' O ' HG22 ' A' ' 94' ' ' VAL . 37.8 m-20 -87.67 129.59 35.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -76.32 138.83 40.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.868 ' O ' HG23 ' A' ' 91' ' ' VAL . 33.7 m -144.4 147.54 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.6 ttp -112.39 144.52 41.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.7 t -66.53 95.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 138' ' ' LYS . 1.9 t -59.14 -37.47 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -170.42 168.73 7.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.576 HG21 HD12 ' A' ' 135' ' ' LEU . 1.4 p -167.25 119.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -88.9 -23.01 22.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.12 -98.71 0.15 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.508 ' CD1' ' O ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -101.52 -0.94 34.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 0.0 110.924 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.905 ' C ' HD13 ' A' ' 135' ' ' LEU . 15.6 mmtm -100.21 118.97 37.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.905 HD13 ' C ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -112.62 93.13 4.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.905 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.461 ' O ' HG23 ' A' ' 128' ' ' VAL . 15.1 mtpt -53.45 119.19 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.526 HG11 HG11 ' A' ' 104' ' ' VAL . 20.1 m -104.34 135.62 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.465 ' HB2' HG22 ' A' ' 128' ' ' VAL . 20.3 mtpt -133.16 138.52 46.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -50.68 128.49 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.786 HD11 HG21 ' A' ' 91' ' ' VAL . 5.5 pt -127.0 137.76 31.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.656 0.741 . . . . 0.0 111.149 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 147.0 62.11 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -174.46 0.92 Allowed 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.674 2.249 . . . . 0.0 112.373 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -123.5 33.84 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.3 pp -50.16 -27.27 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.954 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.452 ' HD3' ' N ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -91.1 -49.61 6.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -131.93 172.37 12.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.9 t -170.01 129.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.14 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.0 t -118.43 -21.76 7.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -94.9 129.6 41.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 79' ' ' GLY . 66.8 mt -84.18 -59.75 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 78' ' ' ILE . . . 35.62 61.41 0.72 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.529 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -107.24 106.4 2.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.47 -164.8 19.41 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -84.56 26.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -119.02 112.36 19.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 86' ' ' GLU . 9.8 t -123.71 -22.04 5.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.513 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.5 t80 58.58 42.45 20.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 87' ' ' LEU . 6.2 mm-40 -124.91 -24.64 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.643 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -34.49 -41.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HA ' ' CG1' ' A' ' 127' ' ' VAL . 7.7 ttpm? -45.75 134.93 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.82 -42.95 3.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -65.44 171.11 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.446 HG11 ' NH1' ' A' ' 124' ' ' ARG . 48.4 t -117.67 136.66 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.65 178.16 16.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.78 132.15 54.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.603 HG23 ' H ' ' A' ' 122' ' ' GLY . 15.3 m -71.88 95.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.4 HG23 ' HB3' ' A' ' 103' ' ' LEU . 13.4 m -72.08 -26.77 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.583 ' HA ' HD11 ' A' ' 121' ' ' LEU . 12.9 ttpp -163.67 162.03 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.851 HG23 ' CD2' ' A' ' 102' ' ' TYR . 49.5 mt -137.35 133.41 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -141.65 138.91 32.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.444 ' OE1' ' C ' ' A' ' 99' ' ' GLU . 1.8 tm-20 -49.33 -50.86 37.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -59.9 -38.19 81.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.666 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 55.7 p-80 -167.13 163.01 15.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.851 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -113.68 145.92 40.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.4 ' HB3' HG23 ' A' ' 95' ' ' VAL . 3.9 mm? -102.92 106.81 17.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.458 HG11 HG11 ' A' ' 137' ' ' VAL . 2.2 t -114.83 121.52 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -87.84 109.94 20.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.523 HG11 ' HB3' ' A' ' 87' ' ' LEU . 61.3 t -115.16 136.18 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 44.65 36.65 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.2 34.19 64.52 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -145.71 123.05 11.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.88 0.372 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -62.46 140.99 58.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.512 ' CE2' ' HG ' ' A' ' 87' ' ' LEU . 91.5 m95 -134.98 155.41 50.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.06 93.18 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.426 ' HB2' HD12 ' A' ' 135' ' ' LEU . . . -110.48 168.38 9.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.467 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.5 p90 -131.8 131.05 42.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.429 ' OG ' ' CE2' ' A' ' 102' ' ' TYR . 16.9 p -121.72 137.06 54.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.75 -15.05 58.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -116.58 111.11 19.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -40.45 105.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 97' ' ' ILE . 70.9 mt -74.71 -176.8 2.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.503 ' O ' HG21 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -127.57 139.91 52.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.583 HD11 ' HA ' ' A' ' 96' ' ' LYS . 4.0 mm? -56.19 119.25 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.603 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 97.62 5.88 57.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.593 ' O ' HG22 ' A' ' 94' ' ' VAL . 10.4 t0 -79.91 140.93 36.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.357 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.446 ' NH1' HG11 ' A' ' 91' ' ' VAL . 5.5 ttp85 -89.97 131.1 36.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.463 ' CG2' ' HB ' ' A' ' 137' ' ' VAL . 24.2 m -139.87 150.37 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 45.2 ttm -112.65 137.17 51.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 40.1 t -61.27 120.25 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' A' ' 136' ' ' LYS . 7.9 p -87.9 -35.39 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 128' ' ' VAL . 4.5 m-20 -175.3 146.08 0.8 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.536 HG12 ' HB3' ' A' ' 135' ' ' LEU . 0.8 OUTLIER -118.05 131.56 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.07 28.09 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 116.32 -80.88 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.3 tp -119.87 17.08 12.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -154.33 105.01 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.536 ' HB3' HG12 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -103.94 166.66 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.488 ' HB2' ' CG1' ' A' ' 128' ' ' VAL . 6.4 mtpm? -104.25 140.73 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 125' ' ' VAL . 27.6 m -114.59 138.98 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -119.73 130.56 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -58.05 123.27 15.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 19.8 pt -124.01 139.89 33.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 148.88 66.34 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.272 . . . . 0.0 112.353 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 174.43 9.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -129.64 80.46 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.6 mt 43.18 27.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.806 0.336 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -89.14 -42.19 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -87.3 176.59 7.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.443 ' O ' HG22 ' A' ' 75' ' ' THR . 7.5 m 42.66 41.11 2.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.6 m -95.37 -51.47 4.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -66.01 126.78 29.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.5 mm -97.67 -46.57 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.14 101.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -159.99 116.53 0.72 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.56 -179.69 2.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.546 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.438 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -100.93 -23.17 14.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.739 0.304 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.677 ' CD1' ' N ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -97.72 93.86 6.62 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.933 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.4 t -117.65 -2.59 11.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.535 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.2 t80 54.25 43.37 30.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -122.71 -18.5 6.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.641 ' N ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -38.57 -35.49 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -46.79 129.89 11.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.7 -36.71 2.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -66.42 156.88 33.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.611 HG21 HD11 ' A' ' 140' ' ' ILE . 8.0 p -113.76 138.73 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -126.88 -167.3 12.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.79 127.23 41.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.772 0.32 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.76 HG22 ' O ' ' A' ' 123' ' ' ASP . 3.4 m -66.13 124.5 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.864 HG21 ' CD ' ' A' ' 110' ' ' LYS . 26.3 m -96.48 -30.59 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.595 ' HA ' HD11 ' A' ' 121' ' ' LEU . 33.1 tttp -163.11 158.24 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.935 HG23 ' CD2' ' A' ' 102' ' ' TYR . 20.6 mt -127.76 138.77 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -150.01 130.34 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -42.05 -52.33 4.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -56.04 -38.83 71.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.599 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 38.0 p-80 -171.65 159.06 5.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.935 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -110.27 149.51 30.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.5 mt -107.66 110.87 22.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.523 HG21 HG11 ' A' ' 137' ' ' VAL . 1.2 t -117.5 128.98 74.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -88.25 111.98 22.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.48 HG11 ' HB3' ' A' ' 87' ' ' LEU . 65.7 t -116.46 115.0 47.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 63.58 26.46 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 85.92 27.35 31.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.469 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 27.8 m-20 -145.72 117.93 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.837 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.864 ' CD ' HG21 ' A' ' 95' ' ' VAL . 18.6 mtmt -64.36 141.91 58.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.469 ' CD1' ' O ' ' A' ' 109' ' ' ASP . 89.5 m95 -127.52 178.6 5.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 112' ' ' ILE . 3.1 mp -113.98 96.63 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -116.14 158.03 23.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.525 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.3 p90 -130.19 121.6 26.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.1 t -130.77 126.14 35.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -62.64 -25.43 68.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -83.24 116.3 22.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.73 101.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.4 ' C ' ' CD1' ' A' ' 97' ' ' ILE . 22.4 mt -76.29 -176.65 3.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.15 133.88 26.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.595 HD11 ' HA ' ' A' ' 96' ' ' LYS . 9.3 mp -47.37 119.97 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.604 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 102.33 1.86 50.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.487 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.76 ' O ' HG22 ' A' ' 94' ' ' VAL . 69.7 m-20 -84.23 126.31 33.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.752 0.311 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -75.39 124.09 26.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 139' ' ' ARG . 18.8 m -131.87 143.49 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 4.3 ttm -102.81 138.58 39.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.685 HG13 ' HB2' ' A' ' 135' ' ' LEU . 39.1 t -65.52 115.77 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 3.6 t -76.07 -43.63 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -163.15 162.53 25.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.885 HG22 ' HB3' ' A' ' 135' ' ' LEU . 79.6 t -125.77 120.04 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.12 28.17 7.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.538 ' H ' HG12 ' A' ' 130' ' ' VAL . . . 122.71 -112.82 2.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' A' ' 133' ' ' LEU . 0.1 OUTLIER -82.5 -1.9 51.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.03 178.62 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.885 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -173.63 127.89 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -63.93 160.92 16.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.523 HG11 HG21 ' A' ' 104' ' ' VAL . 30.1 m -144.65 138.78 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 140' ' ' ILE . 15.3 pttp -125.71 124.99 42.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.407 ' HA ' HG12 ' A' ' 125' ' ' VAL . 12.9 ttt180 -52.61 133.34 36.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.611 HD11 HG21 ' A' ' 91' ' ' VAL . 31.2 pt -126.73 143.12 45.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 147.1 62.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 177.12 5.9 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -119.51 76.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.6 mt 44.92 25.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.813 0.339 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -83.31 4.95 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -96.05 151.43 19.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.0 p -126.23 127.73 46.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 76' ' ' THR . 4.8 t -170.81 118.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -72.53 144.61 47.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.1 mt -95.68 -42.54 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.89 -77.35 0.31 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.56 150.15 17.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 179.72 128.94 1.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -100.38 17.2 22.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-30 -95.33 107.98 20.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.53 HG23 ' HG2' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -129.37 -6.89 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.124 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.549 ' CE1' ' O ' ' A' ' 130' ' ' VAL . 1.0 OUTLIER 42.56 47.11 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.53 ' HG2' HG23 ' A' ' 84' ' ' THR . 22.7 pt-20 -121.88 -28.91 4.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.696 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -32.36 -35.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.985 ' HB2' HG12 ' A' ' 130' ' ' VAL . 9.7 tttp -62.65 131.5 49.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.14 -26.84 17.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -86.61 170.43 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.478 HG22 ' HB2' ' A' ' 126' ' ' MET . 60.7 t -118.32 128.93 75.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -116.66 -172.2 16.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.88 126.87 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.886 0.374 . . . . 0.0 110.835 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.987 HG22 ' O ' ' A' ' 123' ' ' ASP . 6.6 m -68.51 116.55 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.441 ' CG2' ' HB3' ' A' ' 103' ' ' LEU . 18.9 m -92.57 -30.66 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.438 ' C ' HG13 ' A' ' 97' ' ' ILE . 14.0 mtpp -154.07 173.61 15.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.638 HG23 ' CD2' ' A' ' 102' ' ' TYR . 46.0 mt -145.81 132.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -143.34 133.31 24.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -46.14 -50.91 14.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.11 -36.45 79.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.805 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 49.3 p-80 -168.53 152.65 5.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.638 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.2 m-85 -104.12 150.89 23.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.441 ' HB3' ' CG2' ' A' ' 95' ' ' VAL . 4.3 mm? -104.22 108.55 19.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.753 HG21 HG11 ' A' ' 137' ' ' VAL . 1.2 t -118.56 127.76 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -90.35 115.45 27.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.528 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 46.7 t -121.16 127.91 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 55.77 29.62 14.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.61 27.65 56.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.402 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 0.8 OUTLIER -145.67 119.93 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -59.61 144.84 46.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.604 ' HB3' HD21 ' A' ' 135' ' ' LEU . 86.8 m95 -133.15 176.45 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.424 HD12 ' N ' ' A' ' 112' ' ' ILE . 4.9 mp -116.44 101.86 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.745 ' HB2' ' CD2' ' A' ' 135' ' ' LEU . . . -128.18 163.17 25.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.581 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 3.9 p90 -133.77 132.93 41.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.3 t -123.25 136.98 54.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -67.42 -23.65 65.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 9.3 pt-20 -104.03 113.96 27.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -47.98 107.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.404 ' O ' HD13 ' A' ' 97' ' ' ILE . 10.1 mt -78.45 -176.12 4.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.31 133.9 41.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.405 HD12 HD12 ' A' ' 97' ' ' ILE . 9.4 mp -51.02 126.01 15.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.558 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 100.67 -1.78 55.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.987 ' O ' HG22 ' A' ' 94' ' ' VAL . 2.4 t70 -88.55 139.24 30.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.0 ptt-85 -84.25 140.03 31.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 30.9 m -144.32 151.15 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.478 ' HB2' HG22 ' A' ' 91' ' ' VAL . 34.1 ttm -111.94 134.89 53.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.477 ' CG1' ' HA ' ' A' ' 88' ' ' LYS . 86.1 t -64.72 102.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.428 HG21 ' HG3' ' A' ' 138' ' ' LYS . 1.5 t -60.91 -36.55 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -171.25 154.6 4.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.985 HG12 ' HB2' ' A' ' 88' ' ' LYS . 7.7 p -156.53 127.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -109.56 -15.25 14.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -167.16 -93.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.7 mt -111.0 18.27 19.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -128.72 95.61 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.789 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -103.56 80.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 135' ' ' LEU . 17.7 mttm -37.11 126.34 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.753 HG11 HG21 ' A' ' 104' ' ' VAL . 33.3 m -113.99 129.29 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.428 ' HG3' HG21 ' A' ' 128' ' ' VAL . 39.3 mttp -122.15 138.81 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 -59.51 132.03 52.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 30.0 pt -126.14 148.78 64.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.593 0.711 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.68 18.35 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.38 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.18 5.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.357 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 145' ' ' GLU . 17.9 tm0? -86.27 -48.87 8.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 145' ' ' GLU . 3.3 pp -35.59 -31.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.537 ' N ' HD12 ' A' ' 144' ' ' LEU . 6.7 pt-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -45.81 -49.75 14.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 73' ' ' ARG . 15.6 pt-20 -35.07 130.9 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.5 p -87.44 44.58 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.4 m -89.64 50.13 1.85 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -115.67 162.37 17.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.444 ' O ' HG22 ' A' ' 78' ' ' ILE . 8.9 mt -111.53 36.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.2 124.88 11.55 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.28 123.97 6.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.457 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.24 137.12 5.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -93.2 41.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -117.88 98.64 6.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 86' ' ' GLU . 8.9 t -88.97 -28.51 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.403 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 1.0 OUTLIER 64.29 43.31 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 87' ' ' LEU . 20.0 mm-40 -127.72 -29.6 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.665 ' H ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -30.66 -40.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.931 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -47.46 97.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.54 -30.77 8.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.504 ' HE2' ' N ' ' A' ' 87' ' ' LEU . 46.7 mtmt -67.25 161.13 25.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.7 t -109.3 130.48 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.14 -160.59 12.82 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.27 148.88 50.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.762 HG11 ' O ' ' A' ' 120' ' ' SER . 2.2 t -88.43 112.47 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.502 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 17.4 m -98.24 -38.65 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.486 ' HD2' ' N ' ' A' ' 97' ' ' ILE . 1.6 tmmm? -154.81 154.31 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.614 HD11 ' CG1' ' A' ' 94' ' ' VAL . 4.2 mp -130.07 141.81 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -153.63 133.26 12.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -48.03 -45.87 32.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -63.47 -34.82 78.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.72 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 53.4 p-80 -173.17 151.96 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.559 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.1 m-85 -105.91 143.71 33.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.612 HD12 ' HD2' ' A' ' 110' ' ' LYS . 2.8 mm? -101.88 103.32 13.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.5 t -110.66 119.8 60.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.132 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -85.11 102.21 13.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.538 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 41.4 t -103.87 116.83 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 57.98 37.03 26.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.54 31.49 56.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' CD1' ' A' ' 111' ' ' TRP . 16.4 m-20 -145.79 112.58 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.391 . . . . 0.0 110.83 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.612 ' HD2' HD12 ' A' ' 103' ' ' LEU . 17.7 mtmt -60.46 137.77 58.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.538 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 93.1 m95 -124.95 171.37 10.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.3 mp -113.43 88.15 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -108.95 156.78 19.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.507 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 1.5 p90 -127.1 121.44 31.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 116' ' ' ASP . 33.2 m -135.92 107.65 7.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.803 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 115' ' ' SER . 1.1 m-20 -37.17 -33.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 115' ' ' SER . 45.4 mt-10 -77.72 114.72 16.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 99.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.3 173.09 6.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.762 ' O ' HG11 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -122.67 162.65 21.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 95' ' ' VAL . 3.6 mm? -62.04 125.5 24.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 89.59 3.31 74.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.508 ' O ' ' CG2' ' A' ' 94' ' ' VAL . 1.4 m-20 -86.46 100.01 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.402 ' C ' HG13 ' A' ' 125' ' ' VAL . 4.7 ptt-85 -60.14 159.9 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.425 HG21 HG21 ' A' ' 137' ' ' VAL . 33.4 m -157.31 145.55 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 35.7 ttp -107.24 128.84 54.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.581 HG13 ' HB2' ' A' ' 135' ' ' LEU . 46.4 t -59.41 124.38 13.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 136' ' ' LYS . 14.8 p -96.92 -32.46 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -148.88 143.18 26.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.847 HG22 ' HB3' ' A' ' 135' ' ' LEU . 70.8 t -128.4 122.51 57.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -115.81 23.61 12.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 113.15 -111.34 2.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 13.0 mt -82.38 19.26 1.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.853 0.358 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -153.65 115.73 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.847 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.3 OUTLIER -122.93 125.7 45.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 137' ' ' VAL . 9.3 tmtt? -72.33 137.28 46.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.474 ' N ' ' HD3' ' A' ' 136' ' ' LYS . 12.5 m -121.75 149.39 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -132.69 131.12 40.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.97 133.65 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.8 pt -126.04 142.96 43.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.6 0.714 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 169.86 17.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.352 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 171.71 13.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.346 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -130.53 81.45 2.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.6 mp 42.52 26.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.904 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 74' ' ' GLU . 4.1 ptp180 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.78 0.324 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' ARG . 12.7 ptm180 -37.27 -32.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ARG . 37.0 mp0 -62.36 170.17 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 75' ' ' THR . 5.0 t -125.04 116.95 22.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.8 t -174.2 115.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -115.57 109.8 18.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 79' ' ' GLY . 8.6 mt 51.85 37.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 78' ' ' ILE . . . -34.85 -81.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.61 68.01 0.23 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.494 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -131.27 145.42 16.98 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -98.44 39.66 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.731 ' CE1' HD21 ' A' ' 133' ' ' LEU . 3.8 m-30 -110.78 120.37 42.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 t -124.25 -12.72 7.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.492 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 2.1 t80 45.37 42.95 8.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -121.61 -25.13 5.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.689 ' N ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -39.9 -34.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.95 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -41.75 106.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.98 -36.57 3.89 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' LEU . 72.2 mttt -57.77 156.59 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 75.3 t -105.29 134.99 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.7 176.35 17.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -119.75 138.47 53.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.613 HG23 ' H ' ' A' ' 122' ' ' GLY . 3.5 m -77.23 84.81 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.926 HG21 ' HE3' ' A' ' 110' ' ' LYS . 16.5 m -64.16 -18.61 23.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -173.13 152.29 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.56 HG23 ' CD2' ' A' ' 102' ' ' TYR . 5.1 mp -124.7 140.16 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 101' ' ' HIS . . . -149.79 132.46 15.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -45.85 -50.17 14.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -36.49 76.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.704 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 42.9 p-80 -170.33 158.7 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.569 ' CD1' ' HA ' ' A' ' 114' ' ' TYR . 1.3 m-85 -107.69 151.38 25.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.443 ' HB3' HG23 ' A' ' 95' ' ' VAL . 14.6 mt -109.17 110.68 21.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.679 HG21 HG11 ' A' ' 137' ' ' VAL . 1.2 t -122.78 117.68 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.451 ' OE2' ' C ' ' A' ' 108' ' ' GLY . 8.1 tp10 -79.95 102.12 9.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.576 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 16.7 t -108.4 136.84 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 106' ' ' VAL . 7.3 pt-20 50.65 28.24 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.451 ' C ' ' OE2' ' A' ' 105' ' ' GLU . . . 79.64 29.76 46.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.431 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -146.21 128.76 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.926 ' HE3' HG21 ' A' ' 95' ' ' VAL . 34.7 mtpt -68.86 120.59 15.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.806 ' CE3' HD21 ' A' ' 135' ' ' LEU . 90.2 m95 -110.75 174.29 5.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.555 HD12 ' N ' ' A' ' 112' ' ' ILE . 3.1 mp -115.13 95.98 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.484 ' HB1' HG13 ' A' ' 137' ' ' VAL . . . -111.36 162.96 14.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.569 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 2.8 p90 -137.04 122.1 19.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.9 t -123.23 127.13 48.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -23.86 67.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.82 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -92.62 114.16 26.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.61 122.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.1 mt -97.31 160.22 14.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.965 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 123' ' ' ASP . 0.8 OUTLIER -119.77 134.12 55.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 7.5 mt -48.55 127.22 12.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.613 ' H ' HG23 ' A' ' 94' ' ' VAL . . . 93.14 2.84 65.89 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.607 ' O ' HG22 ' A' ' 94' ' ' VAL . 20.2 m-20 -82.6 122.71 28.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -76.14 120.25 21.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 25.0 m -125.76 150.72 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 34.7 ttp -111.52 143.04 43.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.605 HG13 ' HB2' ' A' ' 135' ' ' LEU . 45.6 t -66.5 108.89 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.7 t -72.74 -39.42 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -175.84 141.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.585 HG12 ' HB3' ' A' ' 135' ' ' LEU . 0.9 OUTLIER -118.98 133.28 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -100.92 3.44 41.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 149.63 -76.12 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.731 HD21 ' CE1' ' A' ' 83' ' ' TYR . 11.7 mt -117.06 -3.07 11.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -120.26 97.58 5.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.806 HD21 ' CE3' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -92.46 118.78 31.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.894 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.0 169.73 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.679 HG11 HG21 ' A' ' 104' ' ' VAL . 33.3 m -150.75 132.79 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.14 128.91 52.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -61.4 116.03 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 45.5 pt -118.11 137.66 24.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 148.14 63.97 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 174.63 9.21 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.73 2.287 . . . . 0.0 112.305 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -82.85 -47.27 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.0 mp -78.16 45.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.959 . . . . . . . . 0 0 . 1 stop_ save_